2-(3,4-dimethoxyphenyl)sulfanyloctanoic acid

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyloctanoic acid Openeye Name: 2-(3,4-dimethoxyphenyl)sulfanyloctanoic acid CAS Name: 2-[(3,4-dimethoxyphenyl)thio]octanoic acid IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanyloctanoic acid Traditional Name: 2-[(3,4-dimethoxyphenyl)thio]caprylic acid Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H24O4S/c1-4-5-6-7-8-15(16(17)18)21-12-9-10-13(19-2)14(11-12)20-3/h9-11,15H,4-8H2,1-3H3,(H,17,18)