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

Systemtic Name: (3-cyano-4-methyl-hexan-3-yl) dihydrogen phosphate Openeye Name: (1-cyano-1-ethyl-2-methyl-butyl) dihydrogen phosphate CAS Name: (3-cyano-4-methylhexan-3-yl) dihydrogen phosphate IUPAC Name: (3-cyano-4-methylhexan-3-yl) dihydrogen phosphate Traditional Name: (1-cyano-1-ethyl-2-methyl-butyl) dihydrogen phosphate Formula: C8H16NO4P MolecularWeight: 221.190701

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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)