[3-nitrooxy-2-(2-nitrooxyethoxy)propyl] 4-sulfamoylbenzoate

Systemtic Name: [3-nitrooxy-2-(2-nitrooxyethoxy)propyl] 4-sulfamoylbenzoate Openeye Name: [3-nitrooxy-2-(2-nitrooxyethoxy)propyl] 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid [3-nitrooxy-2-(2-nitrooxyethoxy)propyl] ester IUPAC Name: [3-nitrooxy-2-(2-nitrooxyethoxy)propyl] 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid [3-nitrooxy-2-(2-nitrooxyethoxy)propyl] ester Formula: C12H15N3O11S MolecularWeight: 409.326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(CO[N+](=O)[O-])OCCO[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(CO[N+](=O)[O-])OCCO[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C12H15N3O11S/c13-27(21,22)11-3-1-9(2-4-11)12(16)24-7-10(8-26-15(19)20)23-5-6-25-14(17)18/h1-4,10H,5-8H2,(H2,13,21,22)