2-(2-carboxyethylsulfanylmethyl)-2-hexadecyl-octadecanoic acid

Systemtic Name: 2-(2-carboxyethylsulfanylmethyl)-2-hexadecyl-octadecanoic acid Openeye Name: 2-(2-carboxyethylsulfanylmethyl)-2-hexadecyl-octadecanoic acid CAS Name: 2-[(2-carboxyethylthio)methyl]-2-hexadecyloctadecanoic acid IUPAC Name: 2-(2-carboxyethylsulfanylmethyl)-2-hexadecyloctadecanoic acid Traditional Name: 2-[(2-carboxyethylthio)methyl]-2-cetyl-stearic acid Formula: C38H74O4S MolecularWeight: 627.05676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(CSCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(CSCCC(=O)O)C(=O)O

InChI

InChI=1S/C38H74O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-38(37(41)42,35-43-34-31-36(39)40)33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3,(H,39,40)(H,41,42)