2-methyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-tetradecan-2-yl)sulfanyl-tetradecanoic acid

Systemtic Name: 2-methyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-tetradecan-2-yl)sulfanyl-tetradecanoic acid Openeye Name: 2-(1-carboxy-1-methyl-tridecyl)sulfanyl-2-methyl-tetradecanoic acid CAS Name: 2-[(1-hydroxy-2-methyl-1-oxotetradecan-2-yl)thio]-2-methyltetradecanoic acid IUPAC Name: 2-(1-hydroxy-2-methyl-1-oxotetradecan-2-yl)sulfanyl-2-methyltetradecanoic acid Traditional Name: 2-[(1-carboxy-1-methyl-tridecyl)thio]-2-methyl-myristic acid Formula: C30H58O4S MolecularWeight: 514.84412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)(C(=O)O)SC(C)(CCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(C)(C(=O)O)SC(C)(CCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C30H58O4S/c1-5-7-9-11-13-15-17-19-21-23-25-29(3,27(31)32)35-30(4,28(33)34)26-24-22-20-18-16-14-12-10-8-6-2/h5-26H2,1-4H3,(H,31,32)(H,33,34)