3-[(5,6-dicarboxycyclohexa-2,4-dien-1-yl)methyl]phthalic acid

Systemtic Name: 3-[(5,6-dicarboxycyclohexa-2,4-dien-1-yl)methyl]phthalic acid Openeye Name: 3-[(5,6-dicarboxycyclohexa-2,4-dien-1-yl)methyl]phthalic acid CAS Name: 3-[(5,6-dicarboxy-1-cyclohexa-2,4-dienyl)methyl]phthalic acid IUPAC Name: 3-[(5,6-dicarboxycyclohexa-2,4-dien-1-yl)methyl]phthalic acid Traditional Name: 3-[(5,6-dicarboxycyclohexa-2,4-dien-1-yl)methyl]phthalic acid Formula: C17H14O8 MolecularWeight: 346.28826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(C(=C1)C(=O)O)C(=O)O)CC2=CC=CC(=C2C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(C(C(=C1)C(=O)O)C(=O)O)CC2=CC=CC(=C2C(=O)O)C(=O)O

InChI

InChI=1S/C17H14O8/c18-14(19)10-5-1-3-8(12(10)16(22)23)7-9-4-2-6-11(15(20)21)13(9)17(24)25/h1-6,8,12H,7H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)