4-butyl-2-oxidanylidene-1-(phenylsulfonyl)-1,2,3,4-tetrazolidin-2-ium-5-one

Systemtic Name: 4-butyl-2-oxidanylidene-1-(phenylsulfonyl)-1,2,3,4-tetrazolidin-2-ium-5-one Openeye Name: 1-(benzenesulfonyl)-4-butyl-2-oxo-tetrazolidin-2-ium-5-one CAS Name: 1-(benzenesulfonyl)-4-butyl-2-oxo-5-tetrazolidin-2-iumone IUPAC Name: 1-(benzenesulfonyl)-4-butyl-2-oxotetrazolidin-2-ium-5-one Traditional Name: 1-besyl-4-butyl-2-keto-tetrazolidin-2-ium-5-one Formula: C11H15N4O4S+ MolecularWeight: 299.3262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)N([N+](=O)N1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=O)N([N+](=O)N1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H15N4O4S/c1-2-3-9-13-11(16)14(15(17)12-13)20(18,19)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,17)/q+1