9-[[1,12-bis(oxidanyl)-1-oxidanylidene-octadecan-9-yl]disulfanyl]-12-oxidanyl-octadecanoic acid

Systemtic Name: 9-[[1,12-bis(oxidanyl)-1-oxidanylidene-octadecan-9-yl]disulfanyl]-12-oxidanyl-octadecanoic acid Openeye Name: 12-hydroxy-9-[[4-hydroxy-1-(8-hydroxy-8-oxo-octyl)decyl]disulfanyl]octadecanoic acid CAS Name: 9-[(1,12-dihydroxy-1-oxooctadecan-9-yl)disulfanyl]-12-hydroxyoctadecanoic acid IUPAC Name: 9-[(1,12-dihydroxy-1-oxooctadecan-9-yl)disulfanyl]-12-hydroxyoctadecanoic acid Traditional Name: 12-hydroxy-9-[[4-hydroxy-1-(8-hydroxy-8-keto-octyl)decyl]disulfanyl]stearic acid Formula: C36H70O6S2 MolecularWeight: 663.0674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC(CCCCCCCC(=O)O)SSC(CCCCCCCC(=O)O)CCC(CCCCCC)O)O

Isomeric SMILES

CCCCCCC(CCC(CCCCCCCC(=O)O)SSC(CCCCCCCC(=O)O)CCC(CCCCCC)O)O

InChI

InChI=1S/C36H70O6S2/c1-3-5-7-15-21-31(37)27-29-33(23-17-11-9-13-19-25-35(39)40)43-44-34(24-18-12-10-14-20-26-36(41)42)30-28-32(38)22-16-8-6-4-2/h31-34,37-38H,3-30H2,1-2H3,(H,39,40)(H,41,42)