1-[(3-carboxyphenyl)methyl]ethane-1,1,2-tricarboxylic acid

Systemtic Name: 1-[(3-carboxyphenyl)methyl]ethane-1,1,2-tricarboxylic acid Openeye Name: 1-[(3-carboxyphenyl)methyl]ethane-1,1,2-tricarboxylic acid CAS Name: 1-[(3-carboxyphenyl)methyl]ethane-1,1,2-tricarboxylic acid IUPAC Name: 1-[(3-carboxyphenyl)methyl]ethane-1,1,2-tricarboxylic acid Traditional Name: 1-(3-carboxybenzyl)ethane-1,1,2-tricarboxylic acid Formula: C13H12O8 MolecularWeight: 296.22958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(CC(=O)O)(C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CC(CC(=O)O)(C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C13H12O8/c14-9(15)6-13(11(18)19,12(20)21)5-7-2-1-3-8(4-7)10(16)17/h1-4H,5-6H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)