6-methyl-4-nitro-heptane-2,5-diol

Systemtic Name: 6-methyl-4-nitro-heptane-2,5-diol Openeye Name: 6-methyl-4-nitro-heptane-2,5-diol CAS Name: 6-methyl-4-nitroheptane-2,5-diol IUPAC Name: 6-methyl-4-nitroheptane-2,5-diol Traditional Name: 6-methyl-4-nitro-heptane-2,5-diol Formula: C8H17NO4 MolecularWeight: 191.22488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(CC(C)O)[N+](=O)[O-])O

Isomeric SMILES

CC(C)C(C(CC(C)O)[N+](=O)[O-])O

InChI

InChI=1S/C8H17NO4/c1-5(2)8(11)7(9(12)13)4-6(3)10/h5-8,10-11H,4H2,1-3H3