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

Systemtic Name: [1-nitrooxy-3-(3-oxidanylidenebutylsulfanyl)propan-2-yl] nitrate Openeye Name: [1-(nitrooxymethyl)-2-(3-oxobutylsulfanyl)ethyl] nitrate CAS Name: nitric acid [1-nitrooxy-3-(3-oxobutylthio)propan-2-yl] ester IUPAC Name: [1-nitrooxy-3-(3-oxobutylsulfanyl)propan-2-yl] nitrate Traditional Name: nitric acid [1-[(3-ketobutylthio)methyl]-2-nitrooxy-ethyl] ester Formula: C7H12N2O7S MolecularWeight: 268.24438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCSCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C7H12N2O7S/c1-6(10)2-3-17-5-7(16-9(13)14)4-15-8(11)12/h7H,2-5H2,1H3