1,3-dinitrooxypropan-2-yl 4-sulfamoylbenzoate

Systemtic Name: 1,3-dinitrooxypropan-2-yl 4-sulfamoylbenzoate Openeye Name: [2-nitrooxy-1-(nitrooxymethyl)ethyl] 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid 1,3-dinitrooxypropan-2-yl ester IUPAC Name: 1,3-dinitrooxypropan-2-yl 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid [2-nitrooxy-1-(nitrooxymethyl)ethyl] ester Formula: C10H11N3O10S MolecularWeight: 365.27344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O10S/c11-24(19,20)9-3-1-7(2-4-9)10(14)23-8(5-21-12(15)16)6-22-13(17)18/h1-4,8H,5-6H2,(H2,11,19,20)