2-methyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-octadecan-2-yl)sulfanyl-octadecanoic acid

Systemtic Name: 2-methyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-octadecan-2-yl)sulfanyl-octadecanoic acid Openeye Name: 2-(1-carboxy-1-methyl-heptadecyl)sulfanyl-2-methyl-octadecanoic acid CAS Name: 2-[(1-hydroxy-2-methyl-1-oxooctadecan-2-yl)thio]-2-methyloctadecanoic acid IUPAC Name: 2-(1-hydroxy-2-methyl-1-oxooctadecan-2-yl)sulfanyl-2-methyloctadecanoic acid Traditional Name: 2-[(1-carboxy-1-methyl-heptadecyl)thio]-2-methyl-stearic acid Formula: C38H74O4S MolecularWeight: 627.05676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)(C(=O)O)SC(C)(CCCCCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)(C(=O)O)SC(C)(CCCCCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C38H74O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(3,35(39)40)43-38(4,36(41)42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-34H2,1-4H3,(H,39,40)(H,41,42)