2-(3-sulfanylpropyl)octadecanoic acid

Systemtic Name: 2-(3-sulfanylpropyl)octadecanoic acid Openeye Name: 2-(3-sulfanylpropyl)octadecanoic acid CAS Name: 2-(3-mercaptopropyl)octadecanoic acid IUPAC Name: 2-(3-sulfanylpropyl)octadecanoic acid Traditional Name: 2-(3-mercaptopropyl)stearic acid Formula: C21H42O2S MolecularWeight: 358.62198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCS)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCS)C(=O)O

InChI

InChI=1S/C21H42O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20(21(22)23)18-16-19-24/h20,24H,2-19H2,1H3,(H,22,23)