2-methyl-2-sulfanyl-icosanoic acid

Systemtic Name: 2-methyl-2-sulfanyl-icosanoic acid Openeye Name: 2-methyl-2-sulfanyl-icosanoic acid CAS Name: 2-mercapto-2-methyleicosanoic acid IUPAC Name: 2-methyl-2-sulfanylicosanoic acid Traditional Name: 2-mercapto-2-methyl-arachidic acid Formula: C21H42O2S MolecularWeight: 358.62198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)(C(=O)O)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)(C(=O)O)S

InChI

InChI=1S/C21H42O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2,24)20(22)23/h24H,3-19H2,1-2H3,(H,22,23)