3-(phenylcarbonyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid

Systemtic Name: 3-(phenylcarbonyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Openeye Name: 3-benzoylcyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid CAS Name: 3-benzoylcyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid IUPAC Name: 3-benzoylcyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Traditional Name: 3-benzoylcyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Formula: C17H12O9 MolecularWeight: 360.27178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12O9/c18-11(9-5-2-1-3-6-9)10-7-4-8-16(12(19)20,13(21)22)17(10,14(23)24)15(25)26/h1-8H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)