2-(2-carboxyethylsulfanylmethyl)hexadecanoic acid

Systemtic Name: 2-(2-carboxyethylsulfanylmethyl)hexadecanoic acid Openeye Name: 2-(2-carboxyethylsulfanylmethyl)hexadecanoic acid CAS Name: 2-[(2-carboxyethylthio)methyl]hexadecanoic acid IUPAC Name: 2-(2-carboxyethylsulfanylmethyl)hexadecanoic acid Traditional Name: 2-[(2-carboxyethylthio)methyl]palmitic acid Formula: C20H38O4S MolecularWeight: 374.57832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CSCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(CSCCC(=O)O)C(=O)O

InChI

InChI=1S/C20H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(20(23)24)17-25-16-15-19(21)22/h18H,2-17H2,1H3,(H,21,22)(H,23,24)