2-(4-phenylmethoxyphenyl)sulfanyloctanoic acid

Systemtic Name: 2-(4-phenylmethoxyphenyl)sulfanyloctanoic acid Openeye Name: 2-(4-benzyloxyphenyl)sulfanyloctanoic acid CAS Name: 2-[(4-phenylmethoxyphenyl)thio]octanoic acid IUPAC Name: 2-(4-phenylmethoxyphenyl)sulfanyloctanoic acid Traditional Name: 2-[(4-benzoxyphenyl)thio]caprylic acid Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26O3S/c1-2-3-4-8-11-20(21(22)23)25-19-14-12-18(13-15-19)24-16-17-9-6-5-7-10-17/h5-7,9-10,12-15,20H,2-4,8,11,16H2,1H3,(H,22,23)