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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=C(C1(C(=O)O)C(=O)O)C(=O)O)C(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1C(=CC=C(C1(C(=O)O)C(=O)O)C(=O)O)C(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H12O9/c18-12(8-1-3-9(4-2-8)13(19)20)10-5-6-11(14(21)22)17(7-10,15(23)24)16(25)26/h1-6H,7H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)