2-methylheptyl nitrate

Systemtic Name: 2-methylheptyl nitrate Openeye Name: 2-methylheptyl nitrate CAS Name: nitric acid 2-methylheptyl ester IUPAC Name: 2-methylheptyl nitrate Traditional Name: nitric acid 2-methylheptyl ester Formula: C8H17NO3 MolecularWeight: 175.22548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CO[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C)CO[N+](=O)[O-]

InChI

InChI=1S/C8H17NO3/c1-3-4-5-6-8(2)7-12-9(10)11/h8H,3-7H2,1-2H3