2-methyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-hexadecan-2-yl)sulfanyl-hexadecanoic acid

Systemtic Name: 2-methyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-hexadecan-2-yl)sulfanyl-hexadecanoic acid Openeye Name: 2-(1-carboxy-1-methyl-pentadecyl)sulfanyl-2-methyl-hexadecanoic acid CAS Name: 2-[(1-hydroxy-2-methyl-1-oxohexadecan-2-yl)thio]-2-methylhexadecanoic acid IUPAC Name: 2-(1-hydroxy-2-methyl-1-oxohexadecan-2-yl)sulfanyl-2-methylhexadecanoic acid Traditional Name: 2-[(1-carboxy-1-methyl-pentadecyl)thio]-2-methyl-palmitic acid Formula: C34H66O4S MolecularWeight: 570.95044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)(C(=O)O)SC(C)(CCCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C)(C(=O)O)SC(C)(CCCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C34H66O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-33(3,31(35)36)39-34(4,32(37)38)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-30H2,1-4H3,(H,35,36)(H,37,38)