2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-nitro-propane-1,3-diol

Systemtic Name: 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-nitro-propane-1,3-diol Openeye Name: 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-nitro-propane-1,3-diol CAS Name: 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-nitropropane-1,3-diol IUPAC Name: 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-nitropropane-1,3-diol Traditional Name: 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-nitro-propane-1,3-diol Formula: C12H21NO4 MolecularWeight: 243.29944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO4/c1-10(2)5-4-6-11(3)7-12(8-14,9-15)13(16)17/h5,7,14-15H,4,6,8-9H2,1-3H3/b11-7+