8-(3-octylthiiran-2-yl)-2-(2-sulfanylethyl)octanoic acid

Systemtic Name: 8-(3-octylthiiran-2-yl)-2-(2-sulfanylethyl)octanoic acid Openeye Name: 8-(3-octylthiiran-2-yl)-2-(2-sulfanylethyl)octanoic acid CAS Name: 2-(2-mercaptoethyl)-8-(3-octyl-2-thiiranyl)octanoic acid IUPAC Name: 8-(3-octylthiiran-2-yl)-2-(2-sulfanylethyl)octanoic acid Traditional Name: 2-(2-mercaptoethyl)-8-(3-octylthiiran-2-yl)caprylic acid Formula: C20H38O2S2 MolecularWeight: 374.64452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(S1)CCCCCCC(CCS)C(=O)O

Isomeric SMILES

CCCCCCCCC1C(S1)CCCCCCC(CCS)C(=O)O

InChI

InChI=1S/C20H38O2S2/c1-2-3-4-5-6-10-13-18-19(24-18)14-11-8-7-9-12-17(15-16-23)20(21)22/h17-19,23H,2-16H2,1H3,(H,21,22)