(3-cyano-4-methyl-hexan-3-yl)phosphonic acid

Systemtic Name: (3-cyano-4-methyl-hexan-3-yl)phosphonic acid Openeye Name: (1-cyano-1-ethyl-2-methyl-butyl)phosphonic acid CAS Name: (3-cyano-4-methylhexan-3-yl)phosphonic acid IUPAC Name: (3-cyano-4-methylhexan-3-yl)phosphonic acid Traditional Name: (1-cyano-1-ethyl-2-methyl-butyl)phosphonic acid Formula: C8H16NO3P MolecularWeight: 205.191301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16NO3P/c1-4-7(3)8(5-2,6-9)13(10,11)12/h7H,4-5H2,1-3H3,(H2,10,11,12)