sodium 4-(4,4-dimethyl-3-oxidanylidene-pyrazolidin-1-yl)benzenesulfonate

Systemtic Name: sodium 4-(4,4-dimethyl-3-oxidanylidene-pyrazolidin-1-yl)benzenesulfonate Openeye Name: sodium 4-(4,4-dimethyl-3-oxo-pyrazolidin-1-yl)benzenesulfonate CAS Name: sodium 4-(4,4-dimethyl-3-oxo-1-pyrazolidinyl)benzenesulfonate IUPAC Name: sodium 4-(4,4-dimethyl-3-oxopyrazolidin-1-yl)benzenesulfonate Traditional Name: sodium 4-(3-keto-4,4-dimethyl-pyrazolidin-1-yl)besylate Formula: C11H13N2NaO4S MolecularWeight: 292.28669

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(NC1=O)C2=CC=C(C=C2)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(CN(NC1=O)C2=CC=C(C=C2)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C11H14N2O4S.Na/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);/q;+1/p-1