4-(4,4-dicarboxycyclohexa-2,5-dien-1-yl)carbonylphthalic acid

Systemtic Name: 4-(4,4-dicarboxycyclohexa-2,5-dien-1-yl)carbonylphthalic acid Openeye Name: 4-(4,4-dicarboxycyclohexa-2,5-diene-1-carbonyl)phthalic acid CAS Name: 4-[(4,4-dicarboxy-1-cyclohexa-2,5-dienyl)-oxomethyl]phthalic acid IUPAC Name: 4-(4,4-dicarboxycyclohexa-2,5-diene-1-carbonyl)phthalic acid Traditional Name: 4-(4,4-dicarboxycyclohexa-2,5-diene-1-carbonyl)phthalic acid Formula: C17H12O9 MolecularWeight: 360.27178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=CC1C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(C=CC1C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)(C(=O)O)C(=O)O

InChI

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