5-[1-(3-carboxy-5-chloranyl-4-methoxy-phenyl)-6-oxidanyl-6-oxidanylidene-hex-1-enyl]-3-chloranyl-2-methoxy-benzoic acid

Systemtic Name: 5-[1-(3-carboxy-5-chloranyl-4-methoxy-phenyl)-6-oxidanyl-6-oxidanylidene-hex-1-enyl]-3-chloranyl-2-methoxy-benzoic acid Openeye Name: 5-[1-(3-carboxy-5-chloro-4-methoxy-phenyl)-6-hydroxy-6-oxo-hex-1-enyl]-3-chloro-2-methoxy-benzoic acid CAS Name: 5-[1-(3-carboxy-5-chloro-4-methoxyphenyl)-6-hydroxy-6-oxohex-1-enyl]-3-chloro-2-methoxybenzoic acid IUPAC Name: 5-[1-(3-carboxy-5-chloro-4-methoxyphenyl)-6-hydroxy-6-oxohex-1-enyl]-3-chloro-2-methoxybenzoic acid Traditional Name: 5-[1-(3-carboxy-5-chloro-4-methoxy-phenyl)-6-hydroxy-6-keto-hex-1-enyl]-3-chloro-2-methoxy-benzoic acid Formula: C22H20Cl2O8 MolecularWeight: 483.2954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl2O8/c1-31-19-14(21(27)28)7-11(9-16(19)23)13(5-3-4-6-18(25)26)12-8-15(22(29)30)20(32-2)17(24)10-12/h5,7-10H,3-4,6H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)