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

Systemtic Name: 3-nitro-4-phenylsulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 3-nitro-4-phenylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 3-nitro-4-(phenylthio)-5-sulfamoylbenzoic acid IUPAC Name: 3-nitro-4-phenylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 3-nitro-4-(phenylthio)-5-sulfamoyl-benzoic acid Formula: C13H10N2O6S2 MolecularWeight: 354.3583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O6S2/c14-23(20,21)11-7-8(13(16)17)6-10(15(18)19)12(11)22-9-4-2-1-3-5-9/h1-7H,(H,16,17)(H2,14,20,21)