2-methyl-2-(2-methyl-1-oxidanidyl-1-oxidanylidene-octadecan-2-yl)sulfanyl-octadecanoate

Systemtic Name: 2-methyl-2-(2-methyl-1-oxidanidyl-1-oxidanylidene-octadecan-2-yl)sulfanyl-octadecanoate Openeye Name: 2-(1-carboxylato-1-methyl-heptadecyl)sulfanyl-2-methyl-octadecanoate CAS Name: 2-methyl-2-[(2-methyl-1-oxido-1-oxooctadecan-2-yl)thio]octadecanoate IUPAC Name: 2-methyl-2-(2-methyl-1-oxido-1-oxooctadecan-2-yl)sulfanyloctadecanoate Traditional Name: 2-[(1-carboxylato-1-methyl-heptadecyl)thio]-2-methyl-stearate Formula: C38H72O4S-2 MolecularWeight: 625.04088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)(C(=O)[O-])SC(C)(CCCCCCCCCCCCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)(C(=O)[O-])SC(C)(CCCCCCCCCCCCCCCC)C(=O)[O-]

InChI

InChI=1S/C38H74O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(3,35(39)40)43-38(4,36(41)42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-34H2,1-4H3,(H,39,40)(H,41,42)/p-2