2-(4-cyanophenyl)ethane-1,1,1-tricarboxylic acid

Systemtic Name: 2-(4-cyanophenyl)ethane-1,1,1-tricarboxylic acid Openeye Name: 2-(4-cyanophenyl)ethane-1,1,1-tricarboxylic acid CAS Name: 2-(4-cyanophenyl)ethane-1,1,1-tricarboxylic acid IUPAC Name: 2-(4-cyanophenyl)ethane-1,1,1-tricarboxylic acid Traditional Name: 2-(4-cyanophenyl)ethane-1,1,1-tricarboxylic acid Formula: C12H9NO6 MolecularWeight: 263.20296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)(C(=O)O)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)(C(=O)O)C(=O)O)C#N

InChI

InChI=1S/C12H9NO6/c13-6-8-3-1-7(2-4-8)5-12(9(14)15,10(16)17)11(18)19/h1-4H,5H2,(H,14,15)(H,16,17)(H,18,19)