2-methyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-icosan-2-yl)sulfanyl-icosanoic acid

Systemtic Name: 2-methyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-icosan-2-yl)sulfanyl-icosanoic acid Openeye Name: 2-(1-carboxy-1-methyl-nonadecyl)sulfanyl-2-methyl-icosanoic acid CAS Name: 2-[(1-hydroxy-2-methyl-1-oxoeicosan-2-yl)thio]-2-methyleicosanoic acid IUPAC Name: 2-(1-hydroxy-2-methyl-1-oxoicosan-2-yl)sulfanyl-2-methylicosanoic acid Traditional Name: 2-[(1-carboxy-1-methyl-nonadecyl)thio]-2-methyl-arachidic acid Formula: C42H82O4S MolecularWeight: 683.16308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)(C(=O)O)SC(C)(CCCCCCCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)(C(=O)O)SC(C)(CCCCCCCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C42H82O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(3,39(43)44)47-42(4,40(45)46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-38H2,1-4H3,(H,43,44)(H,45,46)