8,20-ditert-butyl-13-[5-tert-butyl-1-(2-methylphenyl)-4-oxidanyl-dodecyl]-15-methyl-12,16-bis(2-methylphenyl)-13-sulfanyl-heptacosane-9,19-diol

Systemtic Name: 8,20-ditert-butyl-13-[5-tert-butyl-1-(2-methylphenyl)-4-oxidanyl-dodecyl]-15-methyl-12,16-bis(2-methylphenyl)-13-sulfanyl-heptacosane-9,19-diol Openeye Name: 8,20-ditert-butyl-13-[5-tert-butyl-4-hydroxy-1-(o-tolyl)dodecyl]-15-methyl-12,16-bis(o-tolyl)-13-sulfanyl-heptacosane-9,19-diol CAS Name: 8,20-ditert-butyl-13-[5-tert-butyl-4-hydroxy-1-(2-methylphenyl)dodecyl]-13-mercapto-15-methyl-12,16-bis(2-methylphenyl)heptacosane-9,19-diol IUPAC Name: 8,20-ditert-butyl-13-[5-tert-butyl-4-hydroxy-1-(2-methylphenyl)dodecyl]-15-methyl-12,16-bis(2-methylphenyl)-13-sulfanylheptacosane-9,19-diol Traditional Name: 8,20-ditert-butyl-13-[5-tert-butyl-4-hydroxy-1-(o-tolyl)dodecyl]-13-mercapto-15-methyl-12,16-bis(o-tolyl)heptacosane-9,19-diol Formula: C73H124O3S MolecularWeight: 1081.82886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(CCC(C1=CC=CC=C1C)C(C)CC(C(CCC(C(CCCCCCC)C(C)(C)C)O)C2=CC=CC=C2C)(C(CCC(C(CCCCCCC)C(C)(C)C)O)C3=CC=CC=C3C)S)O)C(C)(C)C

Isomeric SMILES

CCCCCCCC(C(CCC(C1=CC=CC=C1C)C(C)CC(C(CCC(C(CCCCCCC)C(C)(C)C)O)C2=CC=CC=C2C)(C(CCC(C(CCCCCCC)C(C)(C)C)O)C3=CC=CC=C3C)S)O)C(C)(C)C

InChI

InChI=1S/C73H124O3S/c1-17-20-23-26-29-44-64(70(8,9)10)67(74)50-47-59(58-41-35-32-38-54(58)4)57(7)53-73(77,62(60-42-36-33-39-55(60)5)48-51-68(75)65(71(11,12)13)45-30-27-24-21-18-2)63(61-43-37-34-40-56(61)6)49-52-69(76)66(72(14,15)16)46-31-28-25-22-19-3/h32-43,57,59,62-69,74-77H,17-31,44-53H2,1-16H3