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

Systemtic Name: 2-methyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-dodecan-2-yl)sulfanyl-dodecanoic acid Openeye Name: 2-(1-carboxy-1-methyl-undecyl)sulfanyl-2-methyl-dodecanoic acid CAS Name: 2-[(1-hydroxy-2-methyl-1-oxododecan-2-yl)thio]-2-methyldodecanoic acid IUPAC Name: 2-(1-hydroxy-2-methyl-1-oxododecan-2-yl)sulfanyl-2-methyldodecanoic acid Traditional Name: 2-[(1-carboxy-1-methyl-undecyl)thio]-2-methyl-lauric acid Formula: C26H50O4S MolecularWeight: 458.7378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)(C(=O)O)SC(C)(CCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCC(C)(C(=O)O)SC(C)(CCCCCCCCCC)C(=O)O

InChI

InChI=1S/C26H50O4S/c1-5-7-9-11-13-15-17-19-21-25(3,23(27)28)31-26(4,24(29)30)22-20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3,(H,27,28)(H,29,30)