Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Butyl 4-oxocyclohexa-1,5-diene-1-carboxylate	94-26-8	21909943

Structure

Other Information

Canonical SMILES	CCCCOC(=O)C1=CCC(=O)C=C1
Iso SMILES	CCCCOC(=O)C1=CCC(=O)C=C1
InChI	InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-6H,2-3,7-8H2,1H3
InChI Key	CKWKFYDHHAOBOX-UHFFFAOYSA-N
Formula	C11H14O3
Mol Weight	194.227
XlogP3	1.9
Charge	0

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Synonyms Information

CAS Name	4-oxo-1-cyclohexa-1,5-dienecarboxylic acid butyl ester
IUPAC Name	butyl 4-oxocyclohexa-1,5-diene-1-carboxylate
Openeye Name	butyl 4-oxocyclohexa-1,5-diene-1-carboxylate
Systematic Name	butyl 4-oxidanylidenecyclohexa-1,5-diene-1-carboxylate
Tratitional Name	butyl 4-oxidanylidenecyclohexa-1,5-diene-1-carboxylate