4-bromanylbenzenesulfonic acid; 4-nitrobenzenesulfonate

Systemtic Name: 4-bromanylbenzenesulfonic acid; 4-nitrobenzenesulfonate Openeye Name: 4-bromobenzenesulfonic acid; 4-nitrobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid; 4-nitrobenzenesulfonate IUPAC Name: 4-bromobenzenesulfonic acid; 4-nitrobenzenesulfonate Traditional Name: brosylic acid; 4-nitrobesylate Formula: C12H9BrNO8S2- MolecularWeight: 439.23576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)[O-].C1=CC(=CC=C1S(=O)(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)[O-].C1=CC(=CC=C1S(=O)(=O)O)Br

InChI

InChI=1S/C6H5BrO3S.C6H5NO5S/c7-5-1-3-6(4-2-5)11(8,9)10;8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,8,9,10);1-4H,(H,10,11,12)/p-1