sodium 4-(cyanomethylcarbamoyl)benzenesulfinate

Systemtic Name: sodium 4-(cyanomethylcarbamoyl)benzenesulfinate Openeye Name: sodium 4-(cyanomethylcarbamoyl)benzenesulfinate CAS Name: sodium 4-[(cyanomethylamino)-oxomethyl]benzenesulfinate IUPAC Name: sodium 4-(cyanomethylcarbamoyl)benzenesulfinate Traditional Name: sodium 4-(cyanomethylcarbamoyl)benzenesulfinate Formula: C9H7N2NaO3S MolecularWeight: 246.21825

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC#N)S(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC#N)S(=O)[O-].[Na+]

InChI

InChI=1S/C9H8N2O3S.Na/c10-5-6-11-9(12)7-1-3-8(4-2-7)15(13)14;/h1-4H,6H2,(H,11,12)(H,13,14);/q;+1/p-1