Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Captan / Merpan / Orthocide / N-trichloromethylthio-4-cyclohexene-1,2-dicarboximide	37335-15-2	8606

Structure

Other Information

Canonical SMILES	C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl
Iso SMILES	C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl
InChI	InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2
InChI Key	LDVVMCZRFWMZSG-UHFFFAOYSA-N
Formula	C9H8Cl3NO2S
Mol Weight	300.589
XlogP3	2.4
Charge	0

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Synonyms Information

CAS Name	2-(trichloromethylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
IUPAC Name	2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Openeye Name	2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Systematic Name	2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Tratitional Name	2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione