[6-(1-cyclohexyl-5-methylsulfonyl-pyrazol-3-yl)-6-oxidanylidene-hexyl] nitrate

Systemtic Name: [6-(1-cyclohexyl-5-methylsulfonyl-pyrazol-3-yl)-6-oxidanylidene-hexyl] nitrate Openeye Name: [6-(1-cyclohexyl-5-methylsulfonyl-pyrazol-3-yl)-6-oxo-hexyl] nitrate CAS Name: nitric acid [6-(1-cyclohexyl-5-methylsulfonyl-3-pyrazolyl)-6-oxohexyl] ester IUPAC Name: [6-(1-cyclohexyl-5-methylsulfonylpyrazol-3-yl)-6-oxohexyl] nitrate Traditional Name: nitric acid [6-(1-cyclohexyl-5-mesyl-pyrazol-3-yl)-6-keto-hexyl] ester Formula: C16H25N3O6S MolecularWeight: 387.4512

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=NN1C2CCCCC2)C(=O)CCCCCO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=NN1C2CCCCC2)C(=O)CCCCCO[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O6S/c1-26(23,24)16-12-14(17-18(16)13-8-4-2-5-9-13)15(20)10-6-3-7-11-25-19(21)22/h12-13H,2-11H2,1H3