3-[(2-carboxyphenyl)methyl]phthalic acid

Systemtic Name: 3-[(2-carboxyphenyl)methyl]phthalic acid Openeye Name: 3-[(2-carboxyphenyl)methyl]phthalic acid CAS Name: 3-[(2-carboxyphenyl)methyl]phthalic acid IUPAC Name: 3-[(2-carboxyphenyl)methyl]phthalic acid Traditional Name: 3-(2-carboxybenzyl)phthalic acid Formula: C16H12O6 MolecularWeight: 300.26288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12O6/c17-14(18)11-6-2-1-4-9(11)8-10-5-3-7-12(15(19)20)13(10)16(21)22/h1-7H,8H2,(H,17,18)(H,19,20)(H,21,22)