1-(phenylmethyl)ethane-1,1,2-tricarboxylic acid

Systemtic Name: 1-(phenylmethyl)ethane-1,1,2-tricarboxylic acid Openeye Name: 1-benzylethane-1,1,2-tricarboxylic acid CAS Name: 1-(phenylmethyl)ethane-1,1,2-tricarboxylic acid IUPAC Name: 1-benzylethane-1,1,2-tricarboxylic acid Traditional Name: 1-benzylethane-1,1,2-tricarboxylic acid Formula: C12H12O6 MolecularWeight: 252.22008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O6/c13-9(14)7-12(10(15)16,11(17)18)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)(H,15,16)(H,17,18)