2-decyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-dodecan-2-yl)sulfanyl-tridecanoic acid

Systemtic Name: 2-decyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-dodecan-2-yl)sulfanyl-tridecanoic acid Openeye Name: 2-(1-carboxy-1-methyl-undecyl)sulfanyl-2-decyl-tridecanoic acid CAS Name: 2-decyl-2-[(1-hydroxy-2-methyl-1-oxododecan-2-yl)thio]tridecanoic acid IUPAC Name: 2-decyl-2-(1-hydroxy-2-methyl-1-oxododecan-2-yl)sulfanyltridecanoic acid Traditional Name: 2-[(1-carboxy-1-methyl-undecyl)thio]-2-decyl-tridecanoic acid Formula: C36H70O4S MolecularWeight: 599.0036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCCCC)(C(=O)O)SC(C)(CCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCCCC)(C(=O)O)SC(C)(CCCCCCCCCC)C(=O)O

InChI

InChI=1S/C36H70O4S/c1-5-8-11-14-17-20-23-26-29-32-36(34(39)40,31-28-25-22-19-16-13-10-7-3)41-35(4,33(37)38)30-27-24-21-18-15-12-9-6-2/h5-32H2,1-4H3,(H,37,38)(H,39,40)