[(6E)-6-[2-cyclohexyl-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-6-nitroso-hexyl] nitrate

Systemtic Name: [(6E)-6-[2-cyclohexyl-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-6-nitroso-hexyl] nitrate Openeye Name: [(6E)-6-[2-cyclohexyl-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-6-nitroso-hexyl] nitrate CAS Name: nitric acid [(6E)-6-[2-cyclohexyl-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-6-nitrosohexyl] ester IUPAC Name: [(6E)-6-[2-cyclohexyl-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-6-nitrosohexyl] nitrate Traditional Name: nitric acid [(6E)-6-[1-cyclohexyl-5-(4-mesylphenyl)-3-pyrazolin-3-ylidene]-6-nitroso-hexyl] ester Formula: C22H30N4O6S MolecularWeight: 478.5618

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(CCCCCO[N+](=O)[O-])N=O)NN2C3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C/C(=C(/CCCCCO[N+](=O)[O-])\N=O)/NN2C3CCCCC3

InChI

InChI=1S/C22H30N4O6S/c1-33(30,31)19-13-11-17(12-14-19)22-16-21(23-25(22)18-8-4-2-5-9-18)20(24-27)10-6-3-7-15-32-26(28)29/h11-14,16,18,23H,2-10,15H2,1H3/b21-20+