[3-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]cyclohexyl]methyl nitrate

Systemtic Name: [3-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]cyclohexyl]methyl nitrate Openeye Name: [3-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]cyclohexyl]methyl nitrate CAS Name: nitric acid [3-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]cyclohexyl]methyl ester IUPAC Name: [3-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]cyclohexyl]methyl nitrate Traditional Name: nitric acid [3-[[6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]methyl]cyclohexyl]methyl ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CC4CCCC(C4)CO[N+](=O)[O-])OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CC4CCCC(C4)CO[N+](=O)[O-])OCO3

InChI

InChI=1S/C22H25NO7S/c1-31(26,27)19-7-5-17(6-8-19)20-12-22-21(28-14-29-22)11-18(20)10-15-3-2-4-16(9-15)13-30-23(24)25/h5-8,11-12,15-16H,2-4,9-10,13-14H2,1H3