[4-[2-(5-nitrooxypentanoyloxy)ethyl]phenyl] 4-sulfamoylbenzoate

Systemtic Name: [4-[2-(5-nitrooxypentanoyloxy)ethyl]phenyl] 4-sulfamoylbenzoate Openeye Name: [4-[2-(5-nitrooxypentanoyloxy)ethyl]phenyl] 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid [4-[2-(5-nitrooxy-1-oxopentoxy)ethyl]phenyl] ester IUPAC Name: [4-[2-(5-nitrooxypentanoyloxy)ethyl]phenyl] 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid [4-[2-(5-nitrooxypentanoyloxy)ethyl]phenyl] ester Formula: C20H22N2O9S MolecularWeight: 466.46168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCOC(=O)CCCCO[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCOC(=O)CCCCO[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C20H22N2O9S/c21-32(27,28)18-10-6-16(7-11-18)20(24)31-17-8-4-15(5-9-17)12-14-29-19(23)3-1-2-13-30-22(25)26/h4-11H,1-3,12-14H2,(H2,21,27,28)