[1-nitrooxy-3-(quinolin-8-yldisulfanyl)propan-2-yl] nitrate

Systemtic Name: [1-nitrooxy-3-(quinolin-8-yldisulfanyl)propan-2-yl] nitrate Openeye Name: [1-(nitrooxymethyl)-2-(8-quinolyldisulfanyl)ethyl] nitrate CAS Name: nitric acid [1-nitrooxy-3-(8-quinolinyldisulfanyl)propan-2-yl] ester IUPAC Name: [1-nitrooxy-3-(quinolin-8-yldisulfanyl)propan-2-yl] nitrate Traditional Name: nitric acid [1-(nitrooxymethyl)-2-(8-quinolyldisulfanyl)ethyl] ester Formula: C12H11N3O6S2 MolecularWeight: 357.36224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SSCC(CO[N+](=O)[O-])O[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SSCC(CO[N+](=O)[O-])O[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C12H11N3O6S2/c16-14(17)20-7-10(21-15(18)19)8-22-23-11-5-1-3-9-4-2-6-13-12(9)11/h1-6,10H,7-8H2