4-butylsulfanyl-3-nitro-5-sulfamoyl-benzoic acid

Systemtic Name: 4-butylsulfanyl-3-nitro-5-sulfamoyl-benzoic acid Openeye Name: 4-butylsulfanyl-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-(butylthio)-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-butylsulfanyl-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-(butylthio)-3-nitro-5-sulfamoyl-benzoic acid Formula: C11H14N2O6S2 MolecularWeight: 334.36866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O6S2/c1-2-3-4-20-10-8(13(16)17)5-7(11(14)15)6-9(10)21(12,18)19/h5-6H,2-4H2,1H3,(H,14,15)(H2,12,18,19)