(4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl)methyl tris(chloranyl)methanesulfonate

Systemtic Name: (4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl)methyl tris(chloranyl)methanesulfonate Openeye Name: (4-methyl-3-oxo-1-phenyl-pyrazolidin-4-yl)methyl trichloromethanesulfonate CAS Name: trichloromethanesulfonic acid (4-methyl-3-oxo-1-phenyl-4-pyrazolidinyl)methyl ester IUPAC Name: (4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl trichloromethanesulfonate Traditional Name: trichloromethanesulfonic acid (3-keto-4-methyl-1-phenyl-pyrazolidin-4-yl)methyl ester Formula: C12H13Cl3N2O4S MolecularWeight: 387.66662

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(NC1=O)C2=CC=CC=C2)COS(=O)(=O)C(Cl)(Cl)Cl

Isomeric SMILES

CC1(CN(NC1=O)C2=CC=CC=C2)COS(=O)(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C12H13Cl3N2O4S/c1-11(8-21-22(19,20)12(13,14)15)7-17(16-10(11)18)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,16,18)