4-(cyanomethylcarbamoyl)benzenesulfinic acid

Systemtic Name: 4-(cyanomethylcarbamoyl)benzenesulfinic acid Openeye Name: 4-(cyanomethylcarbamoyl)benzenesulfinic acid CAS Name: 4-[(cyanomethylamino)-oxomethyl]benzenesulfinic acid IUPAC Name: 4-(cyanomethylcarbamoyl)benzenesulfinic acid Traditional Name: 4-(cyanomethylcarbamoyl)benzenesulfinic acid Formula: C9H8N2O3S MolecularWeight: 224.23642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC#N)S(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC#N)S(=O)O

InChI

InChI=1S/C9H8N2O3S/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)