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

Systemtic Name: [3-nitrooxy-2-(4-nitrooxybutanoyloxy)propyl] 4-sulfamoylbenzoate Openeye Name: [3-nitrooxy-2-(4-nitrooxybutanoyloxy)propyl] 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid [3-nitrooxy-2-(4-nitrooxy-1-oxobutoxy)propyl] ester IUPAC Name: [3-nitrooxy-2-(4-nitrooxybutanoyloxy)propyl] 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid [3-nitrooxy-2-(4-nitrooxybutanoyloxy)propyl] ester Formula: C14H17N3O12S MolecularWeight: 451.36268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O12S/c15-30(24,25)12-5-3-10(4-6-12)14(19)26-8-11(9-28-17(22)23)29-13(18)2-1-7-27-16(20)21/h3-6,11H,1-2,7-9H2,(H2,15,24,25)