14-(2,2-dicyclohexylethyl)-4,24-diethyl-14-(10-ethyl-13-oxidanylidene-13-sulfanyl-tridecyl)heptacosanebis(thioic S-acid)

Systemtic Name: 14-(2,2-dicyclohexylethyl)-4,24-diethyl-14-(10-ethyl-13-oxidanylidene-13-sulfanyl-tridecyl)heptacosanebis(thioic S-acid) Openeye Name: 14-(2,2-dicyclohexylethyl)-4,24-diethyl-14-(10-ethyl-13-oxo-13-sulfanyl-tridecyl)heptacosanebis(thioic S-acid) CAS Name: 14-(2,2-dicyclohexylethyl)-4,24-diethyl-14-(10-ethyl-13-mercapto-13-oxotridecyl)heptacosanebis(thioic S-acid) IUPAC Name: 14-(2,2-dicyclohexylethyl)-4,24-diethyl-14-(10-ethyl-13-oxo-13-sulfanyltridecyl)heptacosanebis(thioic S-acid) Traditional Name: 14-(2,2-dicyclohexylethyl)-4,24-diethyl-14-(10-ethyl-13-keto-13-mercapto-tridecyl)heptacosanebis(thioic S-acid) Formula: C60H112O3S3 MolecularWeight: 977.72448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCCCCCC(CCCCCCCCCC(CC)CCC(=O)S)(CCCCCCCCCC(CC)CCC(=O)S)CC(C1CCCCC1)C2CCCCC2)CCC(=O)S

Isomeric SMILES

CCC(CCCCCCCCCC(CCCCCCCCCC(CC)CCC(=O)S)(CCCCCCCCCC(CC)CCC(=O)S)CC(C1CCCCC1)C2CCCCC2)CCC(=O)S

InChI

InChI=1S/C60H112O3S3/c1-4-51(41-44-57(61)64)34-24-16-10-7-13-19-31-47-60(50-56(54-37-27-22-28-38-54)55-39-29-23-30-40-55,48-32-20-14-8-11-17-25-35-52(5-2)42-45-58(62)65)49-33-21-15-9-12-18-26-36-53(6-3)43-46-59(63)66/h51-56H,4-50H2,1-3H3,(H,61,64)(H,62,65)(H,63,66)