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

Systemtic Name: [1-nitrooxy-3-(2-phenylethynylsulfanyl)propan-2-yl] nitrate Openeye Name: [1-(nitrooxymethyl)-2-(2-phenylethynylsulfanyl)ethyl] nitrate CAS Name: nitric acid [1-nitrooxy-3-(2-phenylethynylthio)propan-2-yl] ester IUPAC Name: [1-nitrooxy-3-(2-phenylethynylsulfanyl)propan-2-yl] nitrate Traditional Name: nitric acid [1-(nitrooxymethyl)-2-(2-phenylethynylthio)ethyl] ester Formula: C11H10N2O6S MolecularWeight: 298.2719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O6S/c14-12(15)18-8-11(19-13(16)17)9-20-7-6-10-4-2-1-3-5-10/h1-5,11H,8-9H2