4-(3-methyl-5-oxidanylidene-pyrazolidin-1-yl)benzenesulfonic acid

Systemtic Name: 4-(3-methyl-5-oxidanylidene-pyrazolidin-1-yl)benzenesulfonic acid Openeye Name: 4-(3-methyl-5-oxo-pyrazolidin-1-yl)benzenesulfonic acid CAS Name: 4-(3-methyl-5-oxo-1-pyrazolidinyl)benzenesulfonic acid IUPAC Name: 4-(3-methyl-5-oxopyrazolidin-1-yl)benzenesulfonic acid Traditional Name: 4-(5-keto-3-methyl-pyrazolidin-1-yl)besylic acid Formula: C10H12N2O4S MolecularWeight: 256.27828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC1CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C10H12N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5,7,11H,6H2,1H3,(H,14,15,16)