4-(phenylcarbonyl)cyclohexa-2,5-diene-1,1,2,6-tetracarboxylic acid

Systemtic Name: 4-(phenylcarbonyl)cyclohexa-2,5-diene-1,1,2,6-tetracarboxylic acid Openeye Name: 4-benzoylcyclohexa-2,5-diene-1,1,2,6-tetracarboxylic acid CAS Name: 4-benzoylcyclohexa-2,5-diene-1,1,2,6-tetracarboxylic acid IUPAC Name: 4-benzoylcyclohexa-2,5-diene-1,1,2,6-tetracarboxylic acid Traditional Name: 4-benzoylcyclohexa-2,5-diene-1,1,2,6-tetracarboxylic acid Formula: C17H12O9 MolecularWeight: 360.27178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C=C(C(C(=C2)C(=O)O)(C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2C=C(C(C(=C2)C(=O)O)(C(=O)O)C(=O)O)C(=O)O

InChI

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