3-(1-cyanoethyl)benzene-1,2,4-tricarboxylic acid

Systemtic Name: 3-(1-cyanoethyl)benzene-1,2,4-tricarboxylic acid Openeye Name: 3-(1-cyanoethyl)benzene-1,2,4-tricarboxylic acid CAS Name: 3-(1-cyanoethyl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 3-(1-cyanoethyl)benzene-1,2,4-tricarboxylic acid Traditional Name: 3-(1-cyanoethyl)trimellitic acid Formula: C12H9NO6 MolecularWeight: 263.20296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=C(C=CC(=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(C#N)C1=C(C=CC(=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C12H9NO6/c1-5(4-13)8-6(10(14)15)2-3-7(11(16)17)9(8)12(18)19/h2-3,5H,1H3,(H,14,15)(H,16,17)(H,18,19)