2-(2-sulfanylethyl)octadecanoic acid

Systemtic Name: 2-(2-sulfanylethyl)octadecanoic acid Openeye Name: 2-(2-sulfanylethyl)octadecanoic acid CAS Name: 2-(2-mercaptoethyl)octadecanoic acid IUPAC Name: 2-(2-sulfanylethyl)octadecanoic acid Traditional Name: 2-(2-mercaptoethyl)stearic acid Formula: C20H40O2S MolecularWeight: 344.5954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCS)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCS)C(=O)O

InChI

InChI=1S/C20H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17-18-23)20(21)22/h19,23H,2-18H2,1H3,(H,21,22)