4-(3-carboxylatophenyl)-4-(3-oxidanidyl-3-oxidanylidene-propyl)cyclohexa-2,5-diene-1,1-dicarboxylate

Systemtic Name: 4-(3-carboxylatophenyl)-4-(3-oxidanidyl-3-oxidanylidene-propyl)cyclohexa-2,5-diene-1,1-dicarboxylate Openeye Name: 4-(3-carboxylatophenyl)-4-(3-oxido-3-oxo-propyl)cyclohexa-2,5-diene-1,1-dicarboxylate CAS Name: 4-(3-carboxylatophenyl)-4-(3-oxido-3-oxopropyl)cyclohexa-2,5-diene-1,1-dicarboxylate IUPAC Name: 4-(3-carboxylatophenyl)-4-(3-oxido-3-oxopropyl)cyclohexa-2,5-diene-1,1-dicarboxylate Traditional Name: 4-(3-carboxylatophenyl)-4-(3-keto-3-oxido-propyl)cyclohexa-2,5-diene-1,1-dicarboxylate Formula: C18H12O8-4 MolecularWeight: 356.28308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2(C=CC(C=C2)(C(=O)[O-])C(=O)[O-])CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C2(C=CC(C=C2)(C(=O)[O-])C(=O)[O-])CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H16O8/c19-13(20)4-5-17(12-3-1-2-11(10-12)14(21)22)6-8-18(9-7-17,15(23)24)16(25)26/h1-3,6-10H,4-5H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)/p-4