5-dodecoxycarbonyl-5-sulfanyl-octadecanoic acid

Systemtic Name: 5-dodecoxycarbonyl-5-sulfanyl-octadecanoic acid Openeye Name: 5-dodecoxycarbonyl-5-sulfanyl-octadecanoic acid CAS Name: 5-[dodecoxy(oxo)methyl]-5-mercaptooctadecanoic acid IUPAC Name: 5-dodecoxycarbonyl-5-sulfanyloctadecanoic acid Traditional Name: 5-lauryloxycarbonyl-5-mercapto-stearic acid Formula: C31H60O4S MolecularWeight: 528.8707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCC(=O)O)(C(=O)OCCCCCCCCCCCC)S

Isomeric SMILES

CCCCCCCCCCCCCC(CCCC(=O)O)(C(=O)OCCCCCCCCCCCC)S

InChI

InChI=1S/C31H60O4S/c1-3-5-7-9-11-13-15-16-18-20-22-26-31(36,27-24-25-29(32)33)30(34)35-28-23-21-19-17-14-12-10-8-6-4-2/h36H,3-28H2,1-2H3,(H,32,33)