(4-sulfamoylphenyl) 6-nitrooxyhexanoate

Systemtic Name: (4-sulfamoylphenyl) 6-nitrooxyhexanoate Openeye Name: (4-sulfamoylphenyl) 6-nitrooxyhexanoate CAS Name: 6-nitrooxyhexanoic acid (4-sulfamoylphenyl) ester IUPAC Name: (4-sulfamoylphenyl) 6-nitrooxyhexanoate Traditional Name: 6-nitrooxyhexanoic acid (4-sulfamoylphenyl) ester Formula: C12H16N2O7S MolecularWeight: 332.32964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(=O)CCCCCO[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1OC(=O)CCCCCO[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C12H16N2O7S/c13-22(18,19)11-7-5-10(6-8-11)21-12(15)4-2-1-3-9-20-14(16)17/h5-8H,1-4,9H2,(H2,13,18,19)