[1-nitrooxy-3-(phenylsulfonyl)propan-2-yl] nitrate

Systemtic Name: [1-nitrooxy-3-(phenylsulfonyl)propan-2-yl] nitrate Openeye Name: [1-(benzenesulfonylmethyl)-2-nitrooxy-ethyl] nitrate CAS Name: nitric acid [1-(benzenesulfonyl)-3-nitrooxypropan-2-yl] ester IUPAC Name: [1-(benzenesulfonyl)-3-nitrooxypropan-2-yl] nitrate Traditional Name: nitric acid [1-(besylmethyl)-2-nitrooxy-ethyl] ester Formula: C9H10N2O8S MolecularWeight: 306.2493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O8S/c12-10(13)18-6-8(19-11(14)15)7-20(16,17)9-4-2-1-3-5-9/h1-5,8H,6-7H2