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Reference substances

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IUPAC name:
2-[(trichloromethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

Inventory

EC number:
205-087-0
EC name:
Captan
CAS number:
133-06-2
CAS number:
133-06-2
Synonyms
Names:
Captan
Identifier:
IUPAC name
1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide
Identifier:
other: SMILES notation
C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl
N-(trichloromethylthio)cyclohex-4-ene-1,2-dicarboximide 2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Molecular and structural information

Molecular formula:
C9H8Cl3NO2S
Molecular weight:
300.589
SMILES notation:
ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O
InChl:
InChI=1/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
Structural formula:
Chemical structure

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