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Reference substances

Reference substances

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General information

Inventory

EC number:
241-313-4
EC name:
1-phenyloctadecane-1,3-dione
CAS number:
17281-74-2

No inventory information available

Reference substance information

IUPAC name:
Palmitoylbenzoylmethane
Synonyms
Names:
1,3-Octadecanedione, 1-phenyl-
Identifier:
IUPAC name
1-phenyloctadecane-1,3-dione
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1

CAS information

CAS number:
17281-74-2

Molecular and structural information

Molecular formula:
C24H38O2
Molecular weight:
ca. 358
SMILES notation:
C(CC(=O)CCCCCCCCCCCCCCC)(=O)c1ccccc1
InChl:
InChI=1/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)21-24(26)22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3
Structural formula:
Chemical structure