Registration Dossier

Reference substances

Reference substances

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General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
1,3-cyclohexanedione, 2-[4-(methylsulfonyl)-2-nitrobenzoyl]

CAS information

CAS number:
104206-82-8

Molecular and structural information

Molecular formula:
C14H13NO7S
Molecular weight:
339.323
SMILES notation:
C1(C(C(CCC1)=O)C(c1c(cc(cc1)S(=O)(=O)C)[N+](=O)[O-])=O)=O
InChl:
1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
Structural formula:
Chemical structure