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

Systemtic Name: 5-[1-(3-carboxy-5-chloranyl-4-methyl-phenyl)-6-oxidanyl-6-oxidanylidene-hex-1-enyl]-3-chloranyl-2-methyl-benzoic acid Openeye Name: 5-[1-(3-carboxy-5-chloro-4-methyl-phenyl)-6-hydroxy-6-oxo-hex-1-enyl]-3-chloro-2-methyl-benzoic acid CAS Name: 5-[1-(3-carboxy-5-chloro-4-methylphenyl)-6-hydroxy-6-oxohex-1-enyl]-3-chloro-2-methylbenzoic acid IUPAC Name: 5-[1-(3-carboxy-5-chloro-4-methylphenyl)-6-hydroxy-6-oxohex-1-enyl]-3-chloro-2-methylbenzoic acid Traditional Name: 5-[1-(3-carboxy-5-chloro-4-methyl-phenyl)-6-hydroxy-6-keto-hex-1-enyl]-3-chloro-2-methyl-benzoic acid Formula: C22H20Cl2O6 MolecularWeight: 451.2966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)C(=CCCCC(=O)O)C2=CC(=C(C(=C2)Cl)C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1Cl)C(=CCCCC(=O)O)C2=CC(=C(C(=C2)Cl)C)C(=O)O)C(=O)O

InChI

InChI=1S/C22H20Cl2O6/c1-11-16(21(27)28)7-13(9-18(11)23)15(5-3-4-6-20(25)26)14-8-17(22(29)30)12(2)19(24)10-14/h5,7-10H,3-4,6H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)