calcium 4-bromanylbenzenesulfonate

Systemtic Name: calcium 4-bromanylbenzenesulfonate Openeye Name: calcium 4-bromobenzenesulfonate CAS Name: calcium 4-bromobenzenesulfonate IUPAC Name: calcium 4-bromobenzenesulfonate Traditional Name: calcium brosylate Formula: C6H4BrCaO3S+ MolecularWeight: 276.14116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)[O-])Br.[Ca+2]

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)[O-])Br.[Ca+2]

InChI

InChI=1S/C6H5BrO3S.Ca/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+2/p-1