[2-[2-(diphenylmethyl)sulfinylethanoylamino]oxysulfanyl-3-nitrooxy-propyl] nitrate

Systemtic Name: [2-[2-(diphenylmethyl)sulfinylethanoylamino]oxysulfanyl-3-nitrooxy-propyl] nitrate Openeye Name: [2-[(2-benzhydrylsulfinylacetyl)amino]oxysulfanyl-3-nitrooxy-propyl] nitrate CAS Name: 1,3-dinitrooxy-2-propanesulfenic acid IUPAC Name: [2-[(2-benzhydrylsulfinylacetyl)amino]oxysulfanyl-3-nitrooxypropyl] nitrate Traditional Name: nitric acid [2-[[(2-benzhydrylsulfinylacetyl)amino]oxythio]-3-nitrooxy-propyl] ester Formula: C18H19N3O9S2 MolecularWeight: 485.48816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)NOSC(CO[N+](=O)[O-])CO[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)NOSC(CO[N+](=O)[O-])CO[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O9S2/c22-17(19-30-31-16(11-28-20(23)24)12-29-21(25)26)13-32(27)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2,(H,19,22)