3-(1-oxidanyl-1-oxidanylidene-henicosan-3-yl)sulfanylhenicosanoic acid

Systemtic Name: 3-(1-oxidanyl-1-oxidanylidene-henicosan-3-yl)sulfanylhenicosanoic acid Openeye Name: 3-[1-(carboxymethyl)nonadecylsulfanyl]henicosanoic acid CAS Name: 3-[(1-hydroxy-1-oxoheneicosan-3-yl)thio]heneicosanoic acid IUPAC Name: 3-(1-hydroxy-1-oxohenicosan-3-yl)sulfanylhenicosanoic acid Traditional Name: 3-[1-(carboxymethyl)nonadecylthio]heneicosanoic acid Formula: C42H82O4S MolecularWeight: 683.16308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC(=O)O)SC(CCCCCCCCCCCCCCCCCC)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(=O)O)SC(CCCCCCCCCCCCCCCCCC)CC(=O)O

InChI

InChI=1S/C42H82O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37-41(43)44)47-40(38-42(45)46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40H,3-38H2,1-2H3,(H,43,44)(H,45,46)