4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)-2-(phenylcarbonyl)cyclohexa-3,5-diene-1,1,2-tricarboxylic acid

Systemtic Name: 4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)-2-(phenylcarbonyl)cyclohexa-3,5-diene-1,1,2-tricarboxylic acid Openeye Name: 2-benzoyl-4-(2-hydroxy-2-oxo-1-phenyl-ethyl)cyclohexa-3,5-diene-1,1,2-tricarboxylic acid CAS Name: 2-benzoyl-4-(2-hydroxy-2-oxo-1-phenylethyl)cyclohexa-3,5-diene-1,1,2-tricarboxylic acid IUPAC Name: 2-benzoyl-4-(2-hydroxy-2-oxo-1-phenylethyl)cyclohexa-3,5-diene-1,1,2-tricarboxylic acid Traditional Name: 2-benzoyl-4-(2-hydroxy-2-keto-1-phenyl-ethyl)cyclohexa-3,5-diene-1,1,2-tricarboxylic acid Formula: C24H18O9 MolecularWeight: 450.39432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC(C(C=C2)(C(=O)O)C(=O)O)(C(=O)C3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC(C(C=C2)(C(=O)O)C(=O)O)(C(=O)C3=CC=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C24H18O9/c25-18(15-9-5-2-6-10-15)24(22(32)33)13-16(11-12-23(24,20(28)29)21(30)31)17(19(26)27)14-7-3-1-4-8-14/h1-13,17H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)