sodium 2-azanyl-5-bromanyl-3-(3-nitrophenyl)benzenesulfonate

Systemtic Name: sodium 2-azanyl-5-bromanyl-3-(3-nitrophenyl)benzenesulfonate Openeye Name: sodium 2-amino-5-bromo-3-(3-nitrophenyl)benzenesulfonate CAS Name: sodium 2-amino-5-bromo-3-(3-nitrophenyl)benzenesulfonate IUPAC Name: sodium 2-amino-5-bromo-3-(3-nitrophenyl)benzenesulfonate Traditional Name: sodium 2-amino-5-bromo-3-(3-nitrophenyl)besylate Formula: C12H8BrN2NaO5S MolecularWeight: 395.16109

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=CC(=C2N)S(=O)(=O)[O-])Br.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=CC(=C2N)S(=O)(=O)[O-])Br.[Na+]

InChI

InChI=1S/C12H9BrN2O5S.Na/c13-8-5-10(12(14)11(6-8)21(18,19)20)7-2-1-3-9(4-7)15(16)17;/h1-6H,14H2,(H,18,19,20);/q;+1/p-1