[1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate

Systemtic Name: [1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate Openeye Name: [1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate CAS Name: nitric acid [1-cyclooctyl-5-(4-methylsulfonylphenyl)-3-pyrazolyl]methyl ester IUPAC Name: [1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate Traditional Name: nitric acid [1-cyclooctyl-5-(4-mesylphenyl)pyrazol-3-yl]methyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCCCCCC3)CO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCCCCCC3)CO[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O5S/c1-28(25,26)18-11-9-15(10-12-18)19-13-16(14-27-22(23)24)20-21(19)17-7-5-3-2-4-6-8-17/h9-13,17H,2-8,14H2,1H3