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[5-methyl-2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl] 3-chloranylbenzenesulfonate

[5-methyl-2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl] 3-chloranylbenzenesulfonate

Systemtic Name:[5-methyl-2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl] 3-chloranylbenzenesulfonate
Openeye Name:[5-methyl-2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl] 3-chlorobenzenesulfonate
CAS Name:3-chlorobenzenesulfonic acid [5-methyl-2-[1-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazolyl] ester
IUPAC Name:[5-methyl-2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl] 3-chlorobenzenesulfonate
Traditional Name:3-chlorobenzenesulfonic acid [5-methyl-2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl] ester
Formula: C19H16ClF3N2O3S
MolecularWeight: 444.85515
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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OS(=O)(=O)C2=CC(=CC=C2)Cl)C(C)C3=CC(=CC=C3)C(F)(F)F


Isomeric SMILES

CC1=NN(C(=C1)OS(=O)(=O)C2=CC(=CC=C2)Cl)C(C)C3=CC(=CC=C3)C(F)(F)F


InChI

InChI=1S/C19H16ClF3N2O3S/c1-12-9-18(28-29(26,27)17-8-4-7-16(20)11-17)25(24-12)13(2)14-5-3-6-15(10-14)19(21,22)23/h3-11,13H,1-2H3


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