5-[1-(3-carboxy-5-chloranyl-4-methoxy-phenyl)-4-oxidanyl-4-oxidanylidene-but-1-enyl]-3-chloranyl-2-methoxy-benzoic acid

Systemtic Name: 5-[1-(3-carboxy-5-chloranyl-4-methoxy-phenyl)-4-oxidanyl-4-oxidanylidene-but-1-enyl]-3-chloranyl-2-methoxy-benzoic acid Openeye Name: 5-[1-(3-carboxy-5-chloro-4-methoxy-phenyl)-4-hydroxy-4-oxo-but-1-enyl]-3-chloro-2-methoxy-benzoic acid CAS Name: 5-[1-(3-carboxy-5-chloro-4-methoxyphenyl)-4-hydroxy-4-oxobut-1-enyl]-3-chloro-2-methoxybenzoic acid IUPAC Name: 5-[1-(3-carboxy-5-chloro-4-methoxyphenyl)-4-hydroxy-4-oxobut-1-enyl]-3-chloro-2-methoxybenzoic acid Traditional Name: 5-[1-(3-carboxy-5-chloro-4-methoxy-phenyl)-4-hydroxy-4-keto-but-1-enyl]-3-chloro-2-methoxy-benzoic acid Formula: C20H16Cl2O8 MolecularWeight: 455.24224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=CCC(=O)O)C2=CC(=C(C(=C2)Cl)OC)C(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=CCC(=O)O)C2=CC(=C(C(=C2)Cl)OC)C(=O)O)C(=O)O

InChI

InChI=1S/C20H16Cl2O8/c1-29-17-12(19(25)26)5-9(7-14(17)21)11(3-4-16(23)24)10-6-13(20(27)28)18(30-2)15(22)8-10/h3,5-8H,4H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)