2-nitro-2-propan-2-yl-propane-1,3-diol

Systemtic Name: 2-nitro-2-propan-2-yl-propane-1,3-diol Openeye Name: 2-isopropyl-2-nitro-propane-1,3-diol CAS Name: 2-nitro-2-propan-2-ylpropane-1,3-diol IUPAC Name: 2-nitro-2-propan-2-ylpropane-1,3-diol Traditional Name: 2-isopropyl-2-nitro-propane-1,3-diol Formula: C6H13NO4 MolecularWeight: 163.17172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13NO4/c1-5(2)6(3-8,4-9)7(10)11/h5,8-9H,3-4H2,1-2H3