4-[(E)-3-[4-(carboxymethylsulfanyl)-3-fluoranyl-phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[4-(carboxymethylsulfanyl)-3-fluoranyl-phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[4-(carboxymethylsulfanyl)-3-fluoro-phenyl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[4-(carboxymethylthio)-3-fluorophenyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[4-(carboxymethylsulfanyl)-3-fluorophenyl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[4-(carboxymethylthio)-3-fluoro-phenyl]-3-keto-prop-1-enyl]benzoic acid Formula: C18H13FO5S MolecularWeight: 360.356223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=CC(=C(C=C2)SCC(=O)O)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=CC(=C(C=C2)SCC(=O)O)F)C(=O)O

InChI

InChI=1S/C18H13FO5S/c19-14-9-13(6-8-16(14)25-10-17(21)22)15(20)7-3-11-1-4-12(5-2-11)18(23)24/h1-9H,10H2,(H,21,22)(H,23,24)/b7-3+