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

Systemtic Name: sodium 2-azanyl-5-bromanyl-3-(3-methanoylphenyl)benzenesulfonate Openeye Name: sodium 2-amino-5-bromo-3-(3-formylphenyl)benzenesulfonate CAS Name: sodium 2-amino-5-bromo-3-(3-formylphenyl)benzenesulfonate IUPAC Name: sodium 2-amino-5-bromo-3-(3-formylphenyl)benzenesulfonate Traditional Name: sodium 2-amino-5-bromo-3-(3-formylphenyl)besylate Formula: C13H9BrNNaO4S MolecularWeight: 378.17363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrNO4S.Na/c14-10-5-11(9-3-1-2-8(4-9)7-16)13(15)12(6-10)20(17,18)19;/h1-7H,15H2,(H,17,18,19);/q;+1/p-1