2-methyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-pentadecan-2-yl)sulfanyl-pentadecanoic acid

Systemtic Name: 2-methyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-pentadecan-2-yl)sulfanyl-pentadecanoic acid Openeye Name: 2-(1-carboxy-1-methyl-tetradecyl)sulfanyl-2-methyl-pentadecanoic acid CAS Name: 2-[(1-hydroxy-2-methyl-1-oxopentadecan-2-yl)thio]-2-methylpentadecanoic acid IUPAC Name: 2-(1-hydroxy-2-methyl-1-oxopentadecan-2-yl)sulfanyl-2-methylpentadecanoic acid Traditional Name: 2-[(1-carboxy-1-methyl-tetradecyl)thio]-2-methyl-pentadecanoic acid Formula: C32H62O4S MolecularWeight: 542.89728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C)(C(=O)O)SC(C)(CCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(C)(C(=O)O)SC(C)(CCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C32H62O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-31(3,29(33)34)37-32(4,30(35)36)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-28H2,1-4H3,(H,33,34)(H,35,36)