3-(5-azanylidene-3-methyl-2-oxidanylidene-pyrazolidin-2-ium-1-yl)benzenesulfonic acid

Systemtic Name: 3-(5-azanylidene-3-methyl-2-oxidanylidene-pyrazolidin-2-ium-1-yl)benzenesulfonic acid Openeye Name: 3-(5-imino-3-methyl-2-oxo-pyrazolidin-2-ium-1-yl)benzenesulfonic acid CAS Name: 3-(5-imino-3-methyl-2-oxo-1-pyrazolidin-2-iumyl)benzenesulfonic acid IUPAC Name: 3-(5-imino-3-methyl-2-oxopyrazolidin-2-ium-1-yl)benzenesulfonic acid Traditional Name: 3-(5-imino-2-keto-3-methyl-pyrazolidin-2-ium-1-yl)besylic acid Formula: C10H12N3O4S+ MolecularWeight: 270.28498

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=N)N([N+]1=O)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1CC(=N)N([N+]1=O)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C10H11N3O4S/c1-7-5-10(11)12(13(7)14)8-3-2-4-9(6-8)18(15,16)17/h2-4,6-7,11H,5H2,1H3/p+1