5,5-dicyanoheptane-1,3,7-tricarboxylic acid

Systemtic Name: 5,5-dicyanoheptane-1,3,7-tricarboxylic acid Openeye Name: 5,5-dicyanoheptane-1,3,7-tricarboxylic acid CAS Name: 5,5-dicyanoheptane-1,3,7-tricarboxylic acid IUPAC Name: 5,5-dicyanoheptane-1,3,7-tricarboxylic acid Traditional Name: 5,5-dicyanoheptane-1,3,7-tricarboxylic acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C(CC(CCC(=O)O)(C#N)C#N)C(=O)O

Isomeric SMILES

C(CC(=O)O)C(CC(CCC(=O)O)(C#N)C#N)C(=O)O

InChI

InChI=1S/C12H14N2O6/c13-6-12(7-14,4-3-10(17)18)5-8(11(19)20)1-2-9(15)16/h8H,1-5H2,(H,15,16)(H,17,18)(H,19,20)