(Q82880010)

English

Cyano(3-phenoxyphenyl)methyl N-[2-chloro-4-(trifluoromethyl)phenyl]valinate--S-[2-(ethylsulfanyl)ethyl] O,O-dimethyl phosphorodithioate (1/1)

group of stereoisomers with the chemical formula C₃₂H₃₇ClF₃N₂O₅PS₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

748.1242842540001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₂H₃₇ClF₃N₂O₅PS₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1.CCSCCSP(=S)(OC)OC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1.CCSCCSP(=S)(OC)OC

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C26H22ClF3N2O3.C6H15O2PS3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19;1-4-11-5-6-12-9(10,7-2)8-3/h3-14,16,23-24,32H,1-2H3;4-6H2,1-3H3/t23?,24-;/m0./s1

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InChIKey

OMEGBDKKWGOPQU-ZAPAOSNUSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID001339292

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(Q82880010)

Cyano(3-phenoxyphenyl)methyl N-[2-chloro-4-(trifluoromethyl)phenyl]valinate--S-[2-(ethylsulfanyl)ethyl] O,O-dimethyl phosphorodithioate (1/1)

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