CAS RN 609771-63-3
CAS RN 609771-63-3
IUPAC Name:
methyl 4-{41-phenylheptatriacontacyclo[17.16.32.1²,²⁰.1²³,²⁶.1²⁴,⁶³.1⁴⁰,⁴⁵.0³,¹⁸.0⁴,¹⁶.0⁵,³⁶.0⁶,⁵³.0⁷,¹⁵.0⁸,¹³.0⁹,⁵⁴.0¹⁰,⁵⁷.0¹¹,⁶⁰.0¹²,⁶².0¹⁴,⁶⁴.0¹⁷,⁶⁵.0²¹,³¹.0²²,⁶⁷.0²⁵,⁶¹.0²⁷,⁵⁹.0²⁸,⁴⁶.0²⁹,⁴⁴.0³²,⁴³.0³⁴,⁴².0³⁵,³⁸.0³⁷,⁵².0³⁹,⁵⁰.0⁴⁰,⁴².0⁴⁷,⁵⁸.0⁴⁸,⁵⁶.0⁵¹,⁵⁵.0³⁰,⁷⁰.0³³,⁷¹.0⁴⁹,⁶⁹.0⁶⁶,⁶⁸]henheptaconta-1(35),2,4(16),5(36),6(53),7(15),8(13),9(54),10,12(62),14(64),17,19(67),20(71),21,23(70),24,26,28(46),29(44),30,32(43),33,37(52),38,45(69),47,49,51(55),56,58,60,63(68),65-tetratriacontaen-41-yl}butanoate
Synonyms:
methyl 4-{41-phenylheptatriacontacyclo[17.16.32.1²,²⁰.1²³,²⁶.1²⁴,⁶³.1⁴⁰,⁴⁵.0³,¹⁸.0⁴,¹⁶.0⁵,³⁶.0⁶,⁵³.0⁷,¹⁵.0⁸,¹³.0⁹,⁵⁴.0¹⁰,⁵⁷.0¹¹,⁶⁰.0¹²,⁶².0¹⁴,⁶⁴.0¹⁷,⁶⁵.0²¹,³¹.0²²,⁶⁷.0²⁵,⁶¹.0²⁷,⁵⁹.0²⁸,⁴⁶.0²⁹,⁴⁴.0³²,⁴³.0³⁴,⁴².0³⁵,³⁸.0³⁷,⁵².0³⁹,⁵⁰.0⁴⁰,⁴².0⁴⁷,⁵⁸.0⁴⁸,⁵⁶.0⁵¹,⁵⁵.0³⁰,⁷⁰.0³³,⁷¹.0⁴⁹,⁶⁹.0⁶⁶,⁶⁸]henheptaconta-1(35),2,4(16),5(36),6(53),7(15),8(13),9(54),10,12(62),14(64),17,19(67),20(71),21,23(70),24,26,28(46),29(44),30,32(43),33,37(52),38,45(69),47,49,51(55),56,58,60,63(68),65-tetratriacontaen-41-yl}butanoate
Molecular Weight (g/mol):
1031.01
Molecular Formula:
C82H14O2
InChi Key:
AZSFNTBGCTUQFX-UHFFFAOYNA-N
SMILES:
COC(=O)CCCC1(C2=CC=CC=C2)C23C4=C5C6=C7C8=C5C5=C9C%10=C(C%11=C%12C%13=C%14C%15=C%16C%17=C%18C%19=C%20C%21=C%17C%17=C%22C%16=C%16C%23=C%22C%22=C%24C%17=C%21C%17=C%21C%24=C%24C%22=C%22C%25=C%26C(=C6C%25=C%24C7=C%21C6=C%17C%20=C(C%19=C%10C%12=C%15%18)C9=C86)C4=C4C6=C%26C(C(C6=C%13C%11=C24)=C%14%16)=C%23%22)C135
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[6,6]-Phenyl-C71-butyric Acid Methyl Ester (mixture of isomers) 98.0+%, TCI America™
CAS: 609771-63-3 Molecular Formula: C82H14O2 Molecular Weight (g/mol): 1031.012 MDL Number: MFCD09842750 InChI Key: AZSFNTBGCTUQFX-UHFFFAOYSA-N Synonym: Methyl [6,6]-Phenyl-C71-butyrate, [70]PCBM PubChem CID: 71777692 SMILES: COC(=O)CCCC1(C23C14C5=C6C7=C8C9=C1C%10=C%11C9=C9C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%23C%24=C%25C%26=C%27C%28=C(C%14=C%14C%12=C%11C%11=C%14C%28=C%26C%12=C%11C%10=C%10C%12=C%25C%23=C%11C%10=C1C7=C%11C%22=C6C4=C%21C%19=C2C%17=C1C%15=C%13C2=C9