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

Systemtic Name: [1-[(4-bromophenyl)disulfanyl]-3-nitrooxy-propan-2-yl] nitrate Openeye Name: [1-[[(4-bromophenyl)disulfanyl]methyl]-2-nitrooxy-ethyl] nitrate CAS Name: nitric acid [1-[(4-bromophenyl)disulfanyl]-3-nitrooxypropan-2-yl] ester IUPAC Name: [1-[(4-bromophenyl)disulfanyl]-3-nitrooxypropan-2-yl] nitrate Traditional Name: nitric acid [1-[[(4-bromophenyl)disulfanyl]methyl]-2-nitrooxy-ethyl] ester Formula: C9H9BrN2O6S2 MolecularWeight: 385.21156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SSCC(CO[N+](=O)[O-])O[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1SSCC(CO[N+](=O)[O-])O[N+](=O)[O-])Br

InChI

InChI=1S/C9H9BrN2O6S2/c10-7-1-3-9(4-2-7)20-19-6-8(18-12(15)16)5-17-11(13)14/h1-4,8H,5-6H2