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

Systemtic Name: 2-oxidanyl-4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)cyclohexa-3,5-diene-1,1,2-tricarboxylic acid Openeye Name: 2-hydroxy-4-(2-hydroxy-2-oxo-1-phenyl-ethyl)cyclohexa-3,5-diene-1,1,2-tricarboxylic acid CAS Name: 2-hydroxy-4-(2-hydroxy-2-oxo-1-phenylethyl)cyclohexa-3,5-diene-1,1,2-tricarboxylic acid IUPAC Name: 2-hydroxy-4-(2-hydroxy-2-oxo-1-phenylethyl)cyclohexa-3,5-diene-1,1,2-tricarboxylic acid Traditional Name: 2-hydroxy-4-(2-hydroxy-2-keto-1-phenyl-ethyl)cyclohexa-3,5-diene-1,1,2-tricarboxylic acid Formula: C17H14O9 MolecularWeight: 362.28766

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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)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)O)O)C(=O)O

InChI

InChI=1S/C17H14O9/c18-12(19)11(9-4-2-1-3-5-9)10-6-7-16(13(20)21,14(22)23)17(26,8-10)15(24)25/h1-8,11,26H,(H,18,19)(H,20,21)(H,22,23)(H,24,25)