4-(3-carboxyphenyl)carbonylcyclohexa-2,5-diene-1,1,2-tricarboxylic acid

Systemtic Name: 4-(3-carboxyphenyl)carbonylcyclohexa-2,5-diene-1,1,2-tricarboxylic acid Openeye Name: 4-(3-carboxybenzoyl)cyclohexa-2,5-diene-1,1,2-tricarboxylic acid CAS Name: 4-[(3-carboxyphenyl)-oxomethyl]cyclohexa-2,5-diene-1,1,2-tricarboxylic acid IUPAC Name: 4-(3-carboxybenzoyl)cyclohexa-2,5-diene-1,1,2-tricarboxylic acid Traditional Name: 4-(3-carboxybenzoyl)cyclohexa-2,5-diene-1,1,2-tricarboxylic acid Formula: C17H12O9 MolecularWeight: 360.27178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12O9/c18-12(8-2-1-3-10(6-8)13(19)20)9-4-5-17(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)