Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
(3As,7aS)-2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione	37335-15-2	25775509

Structure

Other Information

Canonical SMILES	C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl
Iso SMILES	C1C=CC[C@H]2[C@H]1C(=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/t5-,6-/m0/s1
InChI Key	LDVVMCZRFWMZSG-WDSKDSINSA-N
Formula	C9H8Cl3NO2S
Mol Weight	300.589
XlogP3	2.4
Charge	0

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Synonyms Information

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