(3-cyano-4-methyl-hexan-3-yl) phosphate

Systemtic Name: (3-cyano-4-methyl-hexan-3-yl) phosphate Openeye Name: (1-cyano-1-ethyl-2-methyl-butyl) phosphate CAS Name: (3-cyano-4-methylhexan-3-yl) phosphate IUPAC Name: (3-cyano-4-methylhexan-3-yl) phosphate Traditional Name: (1-cyano-1-ethyl-2-methyl-butyl) phosphate Formula: C8H14NO4P-2 MolecularWeight: 219.174821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16NO4P/c1-4-7(3)8(5-2,6-9)13-14(10,11)12/h7H,4-5H2,1-3H3,(H2,10,11,12)/p-2