2-(1-sulfanylethyl)octadecanoic acid

Systemtic Name: 2-(1-sulfanylethyl)octadecanoic acid Openeye Name: 2-(1-sulfanylethyl)octadecanoic acid CAS Name: 2-(1-mercaptoethyl)octadecanoic acid IUPAC Name: 2-(1-sulfanylethyl)octadecanoic acid Traditional Name: 2-(1-mercaptoethyl)stearic acid Formula: C20H40O2S MolecularWeight: 344.5954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(C)S)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(C)S)C(=O)O

InChI

InChI=1S/C20H40O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(18(2)23)20(21)22/h18-19,23H,3-17H2,1-2H3,(H,21,22)