Heterocyclic Building Blocks

Fluorescein, ACROS Organics™

CAS: 2321-07-5 Molecular Formula: C20H12O5 Molecular Weight (g/mol): 332.31 MDL Number: MFCD00005050 InChI Key: GNBHRKFJIUUOQI-UHFFFAOYSA-N PubChem CID: 16850 ChEBI: CHEBI:31624 IUPAC Name: 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

Alfa Aesar™ Ethylene carbonate, 99%

CAS: 96-49-1 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.062 MDL Number: MFCD00005382 InChI Key: KMTRUDSVKNLOMY-UHFFFAOYSA-N Synonym: 1,3-dioxacyclopentan-2-one, 2-dioxolone, carbonic acid, cyclic ethylene ester, cyclic ethylene carbonate, dioxolone-2, ethylene carbonate, ethylene carbonic acid, ethylene glycol carbonate, glycol carbonate, texacar ec PubChem CID: 7303 IUPAC Name: 1,3-dioxolan-2-one SMILES: C1COC(=O)O1

Thiamine hydrochloride, 98.5-101.5%, ACROS Organics™

CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.26 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: aneurine hydrochloride, berin, thiamin chloride, thiamine chloride hydrochloride, thiamine dichloride, thiamine hcl, thiamine hydrochloride, thiaminium chloride, trophite, vitamin b1 hydrochloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

1,4-Dioxane, 99.5%, for HPLC, ACROS Organics™

CAS: 123-91-1 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00006571 InChI Key: RYHBNJHYFVUHQT-UHFFFAOYSA-N Synonym: 1,4-diethylene dioxide, 1,4-dioxacyclohexane, di ethylene oxide, diethylene dioxide, diethylene ether, dioxan, dioxane, dioxanne, p-dioxane, tetrahydro-p-dioxin PubChem CID: 31275 ChEBI: CHEBI:47032 IUPAC Name: 1,4-dioxane SMILES: C1COCCO1

Cycloheximide, 95%, ACROS Organics™

CAS: 66-81-9 Molecular Formula: C15H23NO4 Molecular Weight (g/mol): 281.35 MDL Number: MFCD00082346 InChI Key: YPHMISFOHDHNIV-FSZOTQKASA-N Synonym: actidion, actidione, actidone, cicloheximide, cycloheximide, hizarocin, kaken, naramycin, naramycin a, neocycloheximide PubChem CID: 6197 ChEBI: CHEBI:27641 IUPAC Name: 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione SMILES: CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C

FerroZine(TM) iron reagent, hydrate, 98+%, pure, ACROS Organics™

CAS: 1266615-85-3 Molecular Formula: C20H13N4NaO6S2·xH2O Molecular Weight (g/mol): 492.46 InChI Key: TXAJQBKMPKPCAD-UHFFFAOYSA-N Synonym: 3-2-pyridyl-5,6-diphenyl-1,2,4-triazine-p,p inverted exclamation marka-disulfonic acid monosodium salt hydrate, 3-2-pyridyl-5,6-diphenyl-1,2,4-triazine-p,p'-disulfonic acid monosodium salt hydrate, c20h13n4o6s2.na.h2o, ferrozine mono-sodium salt hydrate, ferrozine™ iron reagent, pdt disulfonate monosodium salt hydrate PubChem CID: 129893581

Imidazole, 99%, ACROS Organics™

CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.079 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: 1,3-diaza-2,4-cyclopentadiene, 1,3-diazole, glyoxalin, glyoxaline, imidazol, imidazole, iminazole, imutex, miazole, pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: C1=CN=CN1

Alfa Aesar™ O-(7-Aza-1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate, 99%

CAS: 148893-10-1 Molecular Formula: C10H15F6N6OP Molecular Weight (g/mol): 380.235 MDL Number: MFCD00274639 InChI Key: JNWBBCNCSMBKNE-UHFFFAOYSA-N Synonym: 2-3h-1,2,3 triazolo 4,5-b pyridin-3-yl-1,1,3,3-tetramethylisouronium hexafluorophosphate v, 2-3h-1,2,3 triazolo 4,5-b pyridin-3-yl-1,1,3,3-tetramethyluronium hexafluorophosphate v, 2-7-aza-1h-benzotriazole-1-yl-1,1,3,3-tetramethyl uronium hexafluorophosphate, 2-7-aza-1h-benzotriazole-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate, dimethylamino triazolo 4,5-b pyridin-3-yloxy methylene-dimethyl-ammonium hexafluorophosphate, hatu, n-dimethylamino 3h-1,2,3 triazolo 4,5-b pyridin-3-yloxy methylene-n-methylmethanaminium hexafluorophosphate, n-dimethylamino-1h-1,2,3-triazolo-4,5-b pyridin-1-ylmethylene-n-methylmethanaminium hexafluorophosphate n-oxide, o-7-azabenzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate, o-7-azabenzotriazol-1-yl-n,n,n,n-tetramethyl uronium hexafluorophosphate PubChem CID: 9886157 IUPAC Name: [dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;hexafluorophosphate SMILES: CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1.F[P-](F)(F)(F)(F)F

2,4,6-Tri(2-pyridyl)-s-triazine, 99%, ACROS Organics™

CAS: 3682-35-7 Molecular Formula: C18H12N6 Molecular Weight (g/mol): 312.32 MDL Number: MFCD00006045 InChI Key: KMVWNDHKTPHDMT-UHFFFAOYSA-N Synonym: 1,3,5-triazine, 2,4,6-tri-2-pyridinyl, 2,4,6-tri 2-pyridyl-1,3,5-triazine, 2,4,6-tri 2-pyridyl-s-triazine, 2,4,6-tripyridyl-s-triazine, 2,4,6-tris 2-pyridyl-1,3,5-triazine, 2,4,6-tris 2-pyridyl-s-triazine, s-triazine, tri-2-pyridyl, terpyridyl-s-triazine, tptz iron reagent, tri-2-pyridyl-s-triazine PubChem CID: 77258 IUPAC Name: 2,4,6-tripyridin-2-yl-1,3,5-triazine SMILES: C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4

L-Histidine hydrochloride monohydrate, 98%, ACROS Organics™

CAS: 5934-29-2 Molecular Formula: C6H12ClN3O3 Molecular Weight (g/mol): 209.63 MDL Number: MFCD00151027 InChI Key: CMXXUDSWGMGYLZ-XRIGFGBMSA-N Synonym: h-his-oh.hcl.h2o, h-his-ohhclh2o, histidine, monohydrochloride, monohydrate, l, l-histidin hydrate hydrochloride, l-histidine hydrochloride hydrate, l-histidine hydrochloride monohydrate, l-histidine monohydrochloride monohydrate, l-histidine, hydrochloride, monohydrate, l-histidine, monohydrochloride, monohydrate, s-2-amino-3-1h-imidazol-4-yl propanoic acid hydrochloride hydrate PubChem CID: 165377 IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride SMILES: C1=C(NC=N1)CC(C(=O)O)N.O.Cl

Phosphorus(V) oxychloride, 99%, Alfa Aesar™

CAS: 10025-87-3 Molecular Formula: Cl3OP Molecular Weight (g/mol): 153.323 MDL Number: MFCD00011443 InChI Key: XHXFXVLFKHQFAL-UHFFFAOYSA-N Synonym: fosforoxychlorid, phosphoric trichloride, phosphorous oxychloride, phosphoroxychloride, phosphorus oxychloride, phosphorus oxytrichloride, phosphoryl chloride, phosphoryl trichloride, phosphorylchlorid, trichlorophosphine oxide PubChem CID: 24813 ChEBI: CHEBI:30336 SMILES: O=P(Cl)(Cl)Cl

Cyanocobalamin, 96%, ACROS Organics™

CAS: 68-19-9 Molecular Formula: C63H88CoN14O14P Molecular Weight (g/mol): 1355.38 MDL Number: MFCD00151092 InChI Key: AGVAZMGAQJOSFJ-WZHZPDAFSA-M Synonym: vitamin b12 PubChem CID: 129893524 IUPAC Name: cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2]

Alfa Aesar™ Quinoline, 98%

CAS: 91-22-5 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.162 MDL Number: MFCD00006736 InChI Key: SMWDFEZZVXVKRB-UHFFFAOYSA-N Synonym: 1-azanaphthalene, 1-benzazine, benzo b pyridine, benzopyridine, chinoleine, chinolin, chinoline, leucol, leukol, quinolin PubChem CID: 7047 ChEBI: CHEBI:17362 IUPAC Name: quinoline SMILES: C1=CC=C2C(=C1)C=CC=N2

Methylene Blue, pure, certified, ACROS Organics™

CAS: 7220-79-3 Molecular Formula: C16H24ClN3O3S Molecular Weight (g/mol): 373.90 MDL Number: MFCD00012111 InChI Key: XQAXGZLFSSPBMK-UHFFFAOYSA-M Synonym: Basic Blue 9 PubChem CID: 6099 ChEBI: CHEBI:6872 IUPAC Name: [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride SMILES: CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]

1-Methyl-2-pyrrolidinone, 99%, extra pure, ACROS Organics™

CAS: 872-50-4 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.133 MDL Number: MFCD00003193 InChI Key: SECXISVLQFMRJM-UHFFFAOYSA-N Synonym: 1-methyl-2-pyrrolidinone, 1-methyl-2-pyrrolidone, 1-methylpyrrolidinone, 2-pyrrolidinone, 1-methyl, m-pyrol, methylpyrrolidone, n-methyl-2-pyrrolidinone, n-methyl-2-pyrrolidone, n-methylpyrrolidinone, n-methylpyrrolidone PubChem CID: 13387 ChEBI: CHEBI:7307 IUPAC Name: 1-methylpyrrolidin-2-one SMILES: CN1CCCC1=O

MES hydrate, 99+%, ACROS Organics™

CAS: 1266615-59-1 Molecular Formula: C6H13NO4S·xH2O MDL Number: MFCD00149409 Synonym: 4-Morpholinoethanesulfonic acid hydrate, MES

1,4-Dioxane, 99.8%, Extra Dry, stabilized, AcroSeal™, ACROS Organics™

CAS: 123-91-1 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 InChI Key: RYHBNJHYFVUHQT-UHFFFAOYSA-N Synonym: 1,4-diethylene dioxide, 1,4-dioxacyclohexane, di ethylene oxide, diethylene dioxide, diethylene ether, dioxan, dioxane, dioxanne, p-dioxane, tetrahydro-p-dioxin PubChem CID: 31275 ChEBI: CHEBI:47032 IUPAC Name: 1,4-dioxane SMILES: C1COCCO1

HEPES sodium salt, 99+%, for molecular biology, DNAse, RNAse and Protease free, ACROS Organics™

CAS: 75277-39-3 Molecular Formula: C8H17N2NaO4S Molecular Weight (g/mol): 260.284 MDL Number: MFCD00036463 InChI Key: RDZTWEVXRGYCFV-UHFFFAOYSA-M Synonym: 2-[4-(2-Hydroxyethyl)-1-piperazine]ethanesulfonic acid sodium salt PubChem CID: 2724248 ChEBI: CHEBI:46758 IUPAC Name: sodium;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate SMILES: C1CN(CCN1CCO)CCS(=O)(=O)[O-].[Na+]

5,10,15,20-Tetrakis(pentafluorophenyl)-21H,23H-porphine, 95%, ACROS Organics™

CAS: 25440-14-6 Molecular Formula: C44H10F20N4 Molecular Weight (g/mol): 974.57 MDL Number: MFCD00010032 InChI Key: GBAPBSUXEFFUAD-UHFFFAOYSA-N Synonym: 2,7,12,17-tetrakis 2,3,4,5,6-pentafluorophenyl-21,22,23,24-tetraazapentacyclo 16.2.1.1 3 ,?.1?, 1 1 .1 1 3 , 1 ? tetracosa-1,3,5,7,9,11 23 ,12,14,16,18 21 ,19-undecaene, 21h,23h-porphine, 5,10,15,20-tetrakis pentafluorophenyl, 5,10,15,20-tetrakis 2,3,4,5,6-pentafluorophenyl-21,22-dihydroporphyrin, 5,10,15,20-tetrakis pentafluorophenyl porphyrin, 5,10,15,20-tetrakis pentafluorophenyl-21h,23h-porphine, acmc-209gjw, iron iii ionophore iv, meso-tetra pentafluorophenyl porphine, tetra pentafluorophenyl poephine, tetrakis pentafluorophenyl porphyrin PubChem CID: 3671775 IUPAC Name: 5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin SMILES: C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C8=C(C(=C(C(=C8F)F)F)F)F)C9=C(C(=C(C(=C9F)F)F)F)F

MES, 99+%, <1% water, ACROS Organics™

CAS: 4432-31-9 Molecular Formula: C6H13NO4S Molecular Weight (g/mol): 195.233 MDL Number: MFCD00006181 InChI Key: SXGZJKUKBWWHRA-UHFFFAOYSA-N Synonym: 2-(N-Morpholino)ethanesulfonic acid PubChem CID: 78165 ChEBI: CHEBI:39005 IUPAC Name: 2-morpholin-4-ylethanesulfonic acid SMILES: C1COCCN1CCS(=O)(=O)O

Paclitaxel, 99+%, ACROS Organics™

CAS: 33069-62-4 Molecular Formula: C47H51NO14 Molecular Weight (g/mol): 853.9 MDL Number: MFCD00869953 InChI Key: RCINICONZNJXQF-KZBGKPSISA-N Synonym: abraxane, ebetaxel, onxol, paclitaxel, paxceed, paxene, plaxicel, taxol, taxol a, yewtaxan PubChem CID: 133640187 SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

Riboflavin, 98%, ACROS Organics™

CAS: 83-88-5 Molecular Formula: C17H20N4O6 Molecular Weight (g/mol): 376.36 MDL Number: MFCD00005022 InChI Key: AUNGANRZJHBGPY-HAIGJTSVSA-N Synonym: --riboflavin, beflavin, beflavine, flavaxin, lactoflavin, lactoflavine, riboflavin, riboflavine, vitamin b2, vitamin g PubChem CID: 71310809 IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O

Alfa Aesar™ 2-Methylimidazole, 97%

CAS: 693-98-1 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.106 MDL Number: MFCD00005190 InChI Key: LXBGSDVWAMZHDD-UHFFFAOYSA-N Synonym: 1h-imidazole, 2-methyl, 2-methyl imidazole, 2-methylglyoxaline, 2-methylimidazole, ccris 2459, dsstox_cid_2107, dsstox_gsid_22107, dsstox_rid_76489, imidazole, 2-methyl, unii-t0049z45lz PubChem CID: 12749 IUPAC Name: 2-methyl-1H-imidazole SMILES: CC1=NC=CN1

Rhodamine B, 98+%, ACROS Organics™

CAS: 81-88-9 Molecular Formula: C28H31ClN2O3 Molecular Weight (g/mol): 479.017 MDL Number: MFCD00011931 InChI Key: PYWVYCXTNDRMGF-UHFFFAOYSA-N Synonym: Basic Violet 10, C.I. 45170 PubChem CID: 6694 ChEBI: CHEBI:52334 IUPAC Name: [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;chloride SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-]

Pyrazine, 99+%, ACROS Organics™

CAS: 290-37-9 Molecular Formula: C4H4N2 Molecular Weight (g/mol): 80.09 InChI Key: KYQCOXFCLRTKLS-UHFFFAOYSA-N Synonym: 1,4-diazabenzene, 1,4-diazin, 1,4-diazine, ccris 1331, mixture, mu-pyrazine;, p-diazine, paradiazine, piazine, pyrazin PubChem CID: 9261 ChEBI: CHEBI:30953 IUPAC Name: pyrazine SMILES: C1=CN=CC=N1

Nicotine ditartrate dihydrate, 98%, ACROS Organics™

CAS: 6019-06-3 Molecular Formula: 2C4H6O6·2H2O Molecular Weight (g/mol): 498.44 InChI Key: YGMGVHYZWYRTJJ-ATVHPVEESA-N Synonym: (-)-Nicotine di-(+)-hydrogen tartrate dihydrate IUPAC Name: N-{3-[(2Z)-5-chloro-2,3-dihydro-1,3-benzoxazol-2-ylidene]-4-oxocyclohexa-1,5-dien-1-yl}-2-methylpropanamide SMILES: CC(C)C(=O)NC1=C\C(=C2/NC3=CC(Cl)=CC=C3O2)C(=O)C=C1

Alfa Aesar™ Hydrogen fluoride pyridine complex, ca 70% HF

CAS: 62778-11-4 Molecular Formula: C5H6FN Molecular Weight (g/mol): 99.108 MDL Number: MFCD00012436 InChI Key: GRJJQCWNZGRKAU-UHFFFAOYSA-N Synonym: hf-pyridine, hydrogen fluoride pyridine, hydrogen fluoride pyridine complex, hydrogen fluoride-pyridine, hydrogen fluoride/pyridine, olah's reagent, pyridine hydrofluoride, pyridine, hydrofluoride 1:1, pyridinium fluoride, pyridinium poly hydrogen fluoride PubChem CID: 64774 IUPAC Name: pyridine;hydrofluoride SMILES: C1=CC=NC=C1.F

Adenosine 5'-diphosphate, disodium salt hydrate, 98%, ACROS Organics™

CAS: 16178-48-6 Molecular Formula: C10H13N5Na2O10P2·xH2O Molecular Weight (g/mol): 471.16 MDL Number: MFCD00150927 InChI Key: ORKSTPSQHZNDSC-IDIVVRGQSA-L Synonym: adenosine 5'-diphosphate disodium salt, adenosine 5'-diphosphate disodium salt hydrate, adenosine 5'-trihydrogen diphosphate , disodium salt, adenosine 5'-trihydrogen diphosphate , sodium salt 1:2, adenosine, 5'-diphosphoric acid, disodium salt, adenosine-5'-diphosphate disodium salt, disodium adp hydrate, disodium hydrogen 2r,3s,4r,5r-5-6-aminopurin-9-yl-3,4-dihydroxyoxolan-2-yl methyl phosphonato oxyphosphonate, sodium 2r,3s,4r,5r-5-6-amino-9h-purin-9-yl-3,4-dihydroxytetrahydrofuran-2-yl methyl hydrogendiphosphate, trinosin s hydrate PubChem CID: 85315 IUPAC Name: disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+]

Carbazole, 96%, ACROS Organics™

CAS: 86-74-8 Molecular Formula: C12H9N Molecular Weight (g/mol): 167.21 MDL Number: MFCD00004960 InChI Key: UJOBWOGCFQCDNV-UHFFFAOYSA-N Synonym: 9-azafluorene, carbazole, dibenzo b,d pyrrole, dibenzopyrrole, diphenyleneimine, diphenylenimide, diphenylenimine, unii-0p2197hhhn, usaf ek-600 PubChem CID: 6854 ChEBI: CHEBI:27543 IUPAC Name: 9H-carbazole SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2

1,3-Dioxolane, 99.8%, anhydrous, stabilized with 75 ppm BHT, AcroSeal™, ACROS Organics™

CAS: 646-06-0 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 InChI Key: WNXJIVFYUVYPPR-UHFFFAOYSA-N Synonym: 1,3-dioxacyclopentane, 1,3-dioxalane, 1,3-dioxolan, dioxolan czech, dioxolane, ethylene glycol formal, formal glycol, glycol formal, glycol methylene ether, glycolformal PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

  spinner