[1-[(4-methylphenyl)disulfanyl]-3-nitrooxy-propan-2-yl] nitrate

Systemtic Name: [1-[(4-methylphenyl)disulfanyl]-3-nitrooxy-propan-2-yl] nitrate Openeye Name: [1-(nitrooxymethyl)-2-(p-tolyldisulfanyl)ethyl] nitrate CAS Name: nitric acid [1-[(4-methylphenyl)disulfanyl]-3-nitrooxypropan-2-yl] ester IUPAC Name: [1-[(4-methylphenyl)disulfanyl]-3-nitrooxypropan-2-yl] nitrate Traditional Name: nitric acid [1-(nitrooxymethyl)-2-(p-tolyldisulfanyl)ethyl] ester Formula: C10H12N2O6S2 MolecularWeight: 320.34208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SSCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SSCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O6S2/c1-8-2-4-10(5-3-8)20-19-7-9(18-12(15)16)6-17-11(13)14/h2-5,9H,6-7H2,1H3