Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
3-(3-Oxo-1-phenylbutyl)chromene-2,4-dione	81-81-2	9905588

Structure

Other Information

Canonical SMILES	CC(=O)CC(C1C(=O)C2=CC=CC=C2OC1=O)C3=CC=CC=C3
Iso SMILES	CC(=O)CC(C1C(=O)C2=CC=CC=C2OC1=O)C3=CC=CC=C3
InChI	InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,17H,11H2,1H3
InChI Key	FQEPJUOLUDFINX-UHFFFAOYSA-N
Formula	C19H16O4
Mol Weight	308.328
XlogP3	2.8
Charge	0

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Synonyms Information

CAS Name	3-(3-oxo-1-phenylbutyl)-3,4-dihydro-2H-1-benzopyran-2,4-dione
IUPAC Name	3-(3-oxo-1-phenyl-butyl)chromane-2,4-dione
Openeye Name	3-(3-oxo-1-phenylbutyl)chromene-2,4-dione
Systematic Name	3-(3-oxidanylidene-1-phenyl-butyl)chromene-2,4-dione
Tratitional Name	3-(3-oxidanylidene-1-phenyl-butyl)chromene-2,4-dione