Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
2,6-Ditert-butyl-4-methylcyclohexa-2,4-dien-1-one	97123-41-6	20327086

Structure

Other Information

Canonical SMILES	CC1=CC(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
Iso SMILES	CC1=CC(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
InChI	InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,11H,1-7H3
InChI Key	WLHAIDFODYCNFM-UHFFFAOYSA-N
Formula	C15H24O
Mol Weight	220.35
XlogP3	4.4
Charge	0

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Synonyms Information

CAS Name	2,6-ditert-butyl-4-methyl-1-cyclohexa-2,4-dienone
IUPAC Name	2,6-ditert-butyl-4-methyl-cyclohexa-2,4-dien-1-one
Openeye Name	2,6-ditert-butyl-4-methylcyclohexa-2,4-dien-1-one
Systematic Name	2,6-ditert-butyl-4-methyl-cyclohexa-2,4-dien-1-one
Tratitional Name	2,6-ditert-butyl-4-methyl-cyclohexa-2,4-dien-1-one