sodium 2-methanoylbenzenesulfonate hydrate

Systemtic Name: sodium 2-methanoylbenzenesulfonate hydrate Openeye Name: sodium 2-formylbenzenesulfonate hydrate CAS Name: sodium 2-formylbenzenesulfonate hydrate IUPAC Name: sodium 2-formylbenzenesulfonate hydrate Traditional Name: sodium 2-formylbesylate hydrate Formula: C7H7NaO5S MolecularWeight: 226.18225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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