2-(4-phenylmethoxyphenyl)sulfinyloctanoic acid

Systemtic Name: 2-(4-phenylmethoxyphenyl)sulfinyloctanoic acid Openeye Name: 2-(4-benzyloxyphenyl)sulfinyloctanoic acid CAS Name: 2-(4-phenylmethoxyphenyl)sulfinyloctanoic acid IUPAC Name: 2-(4-phenylmethoxyphenyl)sulfinyloctanoic acid Traditional Name: 2-(4-benzoxyphenyl)sulfinylcaprylic acid Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O4S/c1-2-3-4-8-11-20(21(22)23)26(24)19-14-12-18(13-15-19)25-16-17-9-6-5-7-10-17/h5-7,9-10,12-15,20H,2-4,8,11,16H2,1H3,(H,22,23)