4-chloranyl-3-(4-nitrooxybutoxycarbonylsulfamoyl)benzoic acid

Systemtic Name: 4-chloranyl-3-(4-nitrooxybutoxycarbonylsulfamoyl)benzoic acid Openeye Name: 4-chloro-3-(4-nitrooxybutoxycarbonylsulfamoyl)benzoic acid CAS Name: 4-chloro-3-[[4-nitrooxybutoxy(oxo)methyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-(4-nitrooxybutoxycarbonylsulfamoyl)benzoic acid Traditional Name: 4-chloro-3-(4-nitrooxybutoxycarbonylsulfamoyl)benzoic acid Formula: C12H13ClN2O9S MolecularWeight: 396.75762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)NC(=O)OCCCCO[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)NC(=O)OCCCCO[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN2O9S/c13-9-4-3-8(11(16)17)7-10(9)25(21,22)14-12(18)23-5-1-2-6-24-15(19)20/h3-4,7H,1-2,5-6H2,(H,14,18)(H,16,17)