4-(5,5-dicarboxycyclohexa-1,3-dien-1-yl)carbonylphthalic acid

Systemtic Name: 4-(5,5-dicarboxycyclohexa-1,3-dien-1-yl)carbonylphthalic acid Openeye Name: 4-(5,5-dicarboxycyclohexa-1,3-diene-1-carbonyl)phthalic acid CAS Name: 4-[(5,5-dicarboxy-1-cyclohexa-1,3-dienyl)-oxomethyl]phthalic acid IUPAC Name: 4-(5,5-dicarboxycyclohexa-1,3-diene-1-carbonyl)phthalic acid Traditional Name: 4-(5,5-dicarboxycyclohexa-1,3-diene-1-carbonyl)phthalic acid Formula: C17H12O9 MolecularWeight: 360.27178

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=CC1(C(=O)O)C(=O)O)C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1C(=CC=CC1(C(=O)O)C(=O)O)C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

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