3-cyanohexan-3-yl phosphate

Systemtic Name: 3-cyanohexan-3-yl phosphate Openeye Name: (1-cyano-1-ethyl-butyl) phosphate CAS Name: 3-cyanohexan-3-yl phosphate IUPAC Name: 3-cyanohexan-3-yl phosphate Traditional Name: (1-cyano-1-ethyl-butyl) phosphate Formula: C7H12NO4P-2 MolecularWeight: 205.148241

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)(C#N)OP(=O)([O-])[O-]

Isomeric SMILES

CCCC(CC)(C#N)OP(=O)([O-])[O-]

InChI

InChI=1S/C7H14NO4P/c1-3-5-7(4-2,6-8)12-13(9,10)11/h3-5H2,1-2H3,(H2,9,10,11)/p-2