4-[[2,6-bis(chloranyl)phenyl]-(3-carboxy-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[2,6-bis(chloranyl)phenyl]-(3-carboxy-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 4-[(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methyl-benzoic acid CAS Name: 4-[(3-carboxy-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 4-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methylbenzoic acid Traditional Name: 4-[(3-carboxy-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methyl-benzoic acid Formula: C23H16Cl2O6 MolecularWeight: 459.27554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C(C(=C(C=C2)C(=O)O)O)C)C3=C(C=CC=C3Cl)Cl)C=C(C1=O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C2=C(C(=C(C=C2)C(=O)O)O)C)C3=C(C=CC=C3Cl)Cl)C=C(C1=O)C(=O)O

InChI

InChI=1S/C23H16Cl2O6/c1-10-8-12(9-15(20(10)26)23(30)31)18(19-16(24)4-3-5-17(19)25)13-6-7-14(22(28)29)21(27)11(13)2/h3-9,27H,1-2H3,(H,28,29)(H,30,31)