sodium 4-bromanylbenzenesulfinic acid dihydrate

Systemtic Name: sodium 4-bromanylbenzenesulfinic acid dihydrate Openeye Name: sodium 4-bromobenzenesulfinic acid dihydrate CAS Name: sodium 4-bromobenzenesulfinic acid dihydrate IUPAC Name: sodium 4-bromobenzenesulfinic acid dihydrate Traditional Name: sodium 4-bromobenzenesulfinic acid dihydrate Formula: C6H9BrNaO4S+ MolecularWeight: 280.09203

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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;;