6-[3-methoxy-4-(4-methoxyphenyl)carbonyl-phenyl]sulfanylhexanoic acid

Systemtic Name: 6-[3-methoxy-4-(4-methoxyphenyl)carbonyl-phenyl]sulfanylhexanoic acid Openeye Name: 6-[3-methoxy-4-(4-methoxybenzoyl)phenyl]sulfanylhexanoic acid CAS Name: 6-[[3-methoxy-4-[(4-methoxyphenyl)-oxomethyl]phenyl]thio]hexanoic acid IUPAC Name: 6-[3-methoxy-4-(4-methoxybenzoyl)phenyl]sulfanylhexanoic acid Traditional Name: 6-[(3-methoxy-4-p-anisoyl-phenyl)thio]hexanoic acid Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)SCCCCCC(=O)O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)SCCCCCC(=O)O)OC

InChI

InChI=1S/C21H24O5S/c1-25-16-9-7-15(8-10-16)21(24)18-12-11-17(14-19(18)26-2)27-13-5-3-4-6-20(22)23/h7-12,14H,3-6,13H2,1-2H3,(H,22,23)