Compound Identification
SMILES
CCC(C)\C=C(/C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)[C@@H]([C@H]3C2=CO1)C(=O)\C=C\C
InChIKey
InChIKey=CSVQAYRULZSEOH-DPTBCMQJSA-N
Formula
C25H27ClO5
Mass
442.94
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
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Level 6
Cyclic ketones
- Level 7 Cyclohexenones
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Level 6
Cyclic ketones
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Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones
Direct Parent
Cyclohexenones
Alternative Parents
Alpha-acyloxy ketones 1,3-dicarbonyl compounds Pyrans Gamma butyrolactones Oxolanes Acryloyl compounds Alpha-chloroketones Enones Carboxylic acid esters Vinyl chlorides Oxacyclic compounds Monocarboxylic acids and derivatives Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cyclohexenone - Alpha-acyloxy ketone - Gamma butyrolactone - 1,3-dicarbonyl compound - Pyran - Alpha-haloketone - Alpha-chloroketone - Acryloyl-group - Enone - Oxolane - Alpha,beta-unsaturated ketone - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Chloroalkene - Haloalkene - Monocarboxylic acid or derivatives - Vinyl chloride - Vinyl halide - Organoheterocyclic compound - Organohalogen compound - Organochloride - Organic oxide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
External Descriptors
Not available