3-(4,4-dicarboxycyclohexa-2,5-dien-1-yl)phthalic acid

Systemtic Name: 3-(4,4-dicarboxycyclohexa-2,5-dien-1-yl)phthalic acid Openeye Name: 3-(4,4-dicarboxycyclohexa-2,5-dien-1-yl)phthalic acid CAS Name: 3-(4,4-dicarboxy-1-cyclohexa-2,5-dienyl)phthalic acid IUPAC Name: 3-(4,4-dicarboxycyclohexa-2,5-dien-1-yl)phthalic acid Traditional Name: 3-(4,4-dicarboxycyclohexa-2,5-dien-1-yl)phthalic acid Formula: C16H12O8 MolecularWeight: 332.26168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12O8/c17-12(18)10-3-1-2-9(11(10)13(19)20)8-4-6-16(7-5-8,14(21)22)15(23)24/h1-8H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)