2-(2-carboxyethylsulfanylmethyl)-3-dodecyl-hexadecanoic acid

Systemtic Name: 2-(2-carboxyethylsulfanylmethyl)-3-dodecyl-hexadecanoic acid Openeye Name: 2-(2-carboxyethylsulfanylmethyl)-3-dodecyl-hexadecanoic acid CAS Name: 2-[(2-carboxyethylthio)methyl]-3-dodecylhexadecanoic acid IUPAC Name: 2-(2-carboxyethylsulfanylmethyl)-3-dodecylhexadecanoic acid Traditional Name: 2-[(2-carboxyethylthio)methyl]-3-lauryl-palmitic acid Formula: C32H62O4S MolecularWeight: 542.89728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCCCCCCCCCC)C(CSCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(CCCCCCCCCCCC)C(CSCCC(=O)O)C(=O)O

InChI

InChI=1S/C32H62O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(30(32(35)36)28-37-27-26-31(33)34)24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3,(H,33,34)(H,35,36)