3-[(3,4-dicarboxyphenyl)methyl]phthalic acid

Systemtic Name: 3-[(3,4-dicarboxyphenyl)methyl]phthalic acid Openeye Name: 3-[(3,4-dicarboxyphenyl)methyl]phthalic acid CAS Name: 3-[(3,4-dicarboxyphenyl)methyl]phthalic acid IUPAC Name: 3-[(3,4-dicarboxyphenyl)methyl]phthalic acid Traditional Name: 3-(3,4-dicarboxybenzyl)phthalic acid Formula: C17H12O8 MolecularWeight: 344.27238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CC2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)CC2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C17H12O8/c18-14(19)10-5-4-8(7-12(10)16(22)23)6-9-2-1-3-11(15(20)21)13(9)17(24)25/h1-5,7H,6H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)