15-octadecoxy-4-[1-octadecoxy-1-oxidanylidene-2,3-bis(sulfanyl)propan-2-yl]-15-oxidanylidene-3-(oxidanylidenemethylidene)-14-sulfanyl-14-(sulfanylmethyl)pentadecanethioic S-acid

Systemtic Name: 15-octadecoxy-4-[1-octadecoxy-1-oxidanylidene-2,3-bis(sulfanyl)propan-2-yl]-15-oxidanylidene-3-(oxidanylidenemethylidene)-14-sulfanyl-14-(sulfanylmethyl)pentadecanethioic S-acid Openeye Name: 15-octadecoxy-4-[2-octadecoxy-2-oxo-1-sulfanyl-1-(sulfanylmethyl)ethyl]-15-oxo-3-(oxomethylene)-14-sulfanyl-14-(sulfanylmethyl)pentadecanethioic S-acid CAS Name: 4-(2,3-dimercapto-1-octadecoxy-1-oxopropan-2-yl)-14-mercapto-14-(mercaptomethyl)-15-octadecoxy-15-oxo-3-(oxomethylidene)pentadecanethioic S-acid IUPAC Name: 15-octadecoxy-4-[1-octadecoxy-1-oxo-2,3-bis(sulfanyl)propan-2-yl]-15-oxo-3-(oxomethylidene)-14-sulfanyl-14-(sulfanylmethyl)pentadecanethioic S-acid Traditional Name: 4-keto-3-[12-keto-1-[2-keto-1-mercapto-1-(mercaptomethyl)-2-stearyloxy-ethyl]-11-mercapto-11-(mercaptomethyl)-12-stearyloxy-dodecyl]but-3-enethioic S-acid Formula: C56H104O6S5 MolecularWeight: 1033.74636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CCCCCCCCCC(C(=C=O)CC(=O)S)C(CS)(C(=O)OCCCCCCCCCCCCCCCCCC)S)(CS)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CCCCCCCCCC(C(=C=O)CC(=O)S)C(CS)(C(=O)OCCCCCCCCCCCCCCCCCC)S)(CS)S

InChI

InChI=1S/C56H104O6S5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-36-40-44-61-53(59)55(66,48-63)43-39-35-31-29-30-34-38-42-51(50(47-57)46-52(58)65)56(67,49-64)54(60)62-45-41-37-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h51,63-64,66-67H,3-46,48-49H2,1-2H3,(H,58,65)