2-bromanyl-5-[[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]sulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]sulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]sulfamoyl]benzoic acid CAS Name: 2-bromo-5-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]sulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]sulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]sulfamoyl]benzoic acid Formula: C16H15BrN2O8S MolecularWeight: 475.2679

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN2O8S/c17-13-6-5-11(7-12(13)16(22)23)28(26,27)18-14(8-20)15(21)9-1-3-10(4-2-9)19(24)25/h1-7,14-15,18,20-21H,8H2,(H,22,23)