4-(4,4-dimethyl-3-oxidanylidene-pyrazolidin-1-yl)benzenesulfonic acid

Systemtic Name: 4-(4,4-dimethyl-3-oxidanylidene-pyrazolidin-1-yl)benzenesulfonic acid Openeye Name: 4-(4,4-dimethyl-3-oxo-pyrazolidin-1-yl)benzenesulfonic acid CAS Name: 4-(4,4-dimethyl-3-oxo-1-pyrazolidinyl)benzenesulfonic acid IUPAC Name: 4-(4,4-dimethyl-3-oxopyrazolidin-1-yl)benzenesulfonic acid Traditional Name: 4-(3-keto-4,4-dimethyl-pyrazolidin-1-yl)besylic acid Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(NC1=O)C2=CC=C(C=C2)S(=O)(=O)O)C

Isomeric SMILES

CC1(CN(NC1=O)C2=CC=C(C=C2)S(=O)(=O)O)C

InChI

InChI=1S/C11H14N2O4S/c1-11(2)7-13(12-10(11)14)8-3-5-9(6-4-8)18(15,16)17/h3-6H,7H2,1-2H3,(H,12,14)(H,15,16,17)