sodium 4-bromanylbenzenesulfinate dihydrate

Systemtic Name: sodium 4-bromanylbenzenesulfinate dihydrate Openeye Name: sodium 4-bromobenzenesulfinate dihydrate CAS Name: sodium 4-bromobenzenesulfinate dihydrate IUPAC Name: sodium 4-bromobenzenesulfinate dihydrate Traditional Name: sodium 4-bromobenzenesulfinate dihydrate Formula: C6H8BrNaO4S MolecularWeight: 279.08409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5BrO2S.Na.2H2O/c7-5-1-3-6(4-2-5)10(8)9;;;/h1-4H,(H,8,9);;2*1H2/q;+1;;/p-1