2-(cyanomethyl)-3,3-dimethyl-2-phosphono-butanedioic acid

Systemtic Name: 2-(cyanomethyl)-3,3-dimethyl-2-phosphono-butanedioic acid Openeye Name: 2-(cyanomethyl)-3,3-dimethyl-2-phosphono-butanedioic acid CAS Name: 2-(cyanomethyl)-3,3-dimethyl-2-phosphonobutanedioic acid IUPAC Name: 2-(cyanomethyl)-3,3-dimethyl-2-phosphonobutanedioic acid Traditional Name: 2-(cyanomethyl)-3,3-dimethyl-2-phosphono-succinic acid Formula: C8H12NO7P MolecularWeight: 265.157141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12NO7P/c1-7(2,5(10)11)8(3-4-9,6(12)13)17(14,15)16/h3H2,1-2H3,(H,10,11)(H,12,13)(H2,14,15,16)