2-(2-nitrooxyethylsulfanyl)ethyl 4-sulfamoylbenzoate

Systemtic Name: 2-(2-nitrooxyethylsulfanyl)ethyl 4-sulfamoylbenzoate Openeye Name: 2-(2-nitrooxyethylsulfanyl)ethyl 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid 2-(2-nitrooxyethylthio)ethyl ester IUPAC Name: 2-(2-nitrooxyethylsulfanyl)ethyl 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid 2-(2-nitrooxyethylthio)ethyl ester Formula: C11H14N2O7S2 MolecularWeight: 350.36806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O7S2/c12-22(17,18)10-3-1-9(2-4-10)11(14)19-5-7-21-8-6-20-13(15)16/h1-4H,5-8H2,(H2,12,17,18)