2,2-dicyano-4,5-dimethyl-octanedioic acid

Systemtic Name: 2,2-dicyano-4,5-dimethyl-octanedioic acid Openeye Name: 2,2-dicyano-4,5-dimethyl-octanedioic acid CAS Name: 2,2-dicyano-4,5-dimethyloctanedioic acid IUPAC Name: 2,2-dicyano-4,5-dimethyloctanedioic acid Traditional Name: 2,2-dicyano-4,5-dimethyl-suberic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-8(3-4-10(15)16)9(2)5-12(6-13,7-14)11(17)18/h8-9H,3-5H2,1-2H3,(H,15,16)(H,17,18)