[6-cyclohexyl-2-(4-methylsulfonyl-1H-pyrazol-5-yl)-6-oxidanylidene-hexyl] nitrate

Systemtic Name: [6-cyclohexyl-2-(4-methylsulfonyl-1H-pyrazol-5-yl)-6-oxidanylidene-hexyl] nitrate Openeye Name: [6-cyclohexyl-2-(4-methylsulfonyl-1H-pyrazol-5-yl)-6-oxo-hexyl] nitrate CAS Name: nitric acid [6-cyclohexyl-2-(4-methylsulfonyl-1H-pyrazol-5-yl)-6-oxohexyl] ester IUPAC Name: [6-cyclohexyl-2-(4-methylsulfonyl-1H-pyrazol-5-yl)-6-oxohexyl] nitrate Traditional Name: nitric acid [6-cyclohexyl-6-keto-2-(4-mesyl-1H-pyrazol-5-yl)hexyl] ester Formula: C16H25N3O6S MolecularWeight: 387.4512

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(NN=C1)C(CCCC(=O)C2CCCCC2)CO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(NN=C1)C(CCCC(=O)C2CCCCC2)CO[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O6S/c1-26(23,24)15-10-17-18-16(15)13(11-25-19(21)22)8-5-9-14(20)12-6-3-2-4-7-12/h10,12-13H,2-9,11H2,1H3,(H,17,18)