sodium 2-methanoylbenzenesulfonate dihydrate

Systemtic Name: sodium 2-methanoylbenzenesulfonate dihydrate Openeye Name: sodium 2-formylbenzenesulfonate dihydrate CAS Name: sodium 2-formylbenzenesulfonate dihydrate IUPAC Name: sodium 2-formylbenzenesulfonate dihydrate Traditional Name: sodium 2-formylbesylate dihydrate Formula: C7H9NaO6S MolecularWeight: 244.19753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O4S.Na.2H2O/c8-5-6-3-1-2-4-7(6)12(9,10)11;;;/h1-5H,(H,9,10,11);;2*1H2/q;+1;;/p-1