4-[(E)-3-[3-(carboxymethylsulfanylmethyl)-4-methoxy-phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[3-(carboxymethylsulfanylmethyl)-4-methoxy-phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[3-(carboxymethylsulfanylmethyl)-4-methoxy-phenyl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[3-[(carboxymethylthio)methyl]-4-methoxyphenyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[3-(carboxymethylsulfanylmethyl)-4-methoxyphenyl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[3-[(carboxymethylthio)methyl]-4-methoxy-phenyl]-3-keto-prop-1-enyl]benzoic acid Formula: C20H18O6S MolecularWeight: 386.41832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O)CSCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)O)CSCC(=O)O

InChI

InChI=1S/C20H18O6S/c1-26-18-9-7-15(10-16(18)11-27-12-19(22)23)17(21)8-4-13-2-5-14(6-3-13)20(24)25/h2-10H,11-12H2,1H3,(H,22,23)(H,24,25)/b8-4+