Compound Identification
SMILES
CO\C([O-])=C(/[O+]=CC1=CC=CC=C1)C(=O)OC
InChIKey
InChIKey=QHPFCHRWABSGFL-UHFFFAOYSA-N
Formula
C12H12O5
Mass
236.223
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Aldehydes
-
Level 6
Aryl-aldehydes
- Level 7 Benzaldehydes
-
Level 6
Aryl-aldehydes
-
Level 5
Aldehydes
-
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
Aldehydes - Aryl-aldehydes
Direct Parent
Benzaldehydes
Alternative Parents
Benzene and substituted derivatives Vinylogous esters Vinylogous acids Methyl esters Enoate esters Monocarboxylic acids and derivatives Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzaldehyde - Monocyclic benzene moiety - Benzenoid - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Vinylogous acid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzaldehydes. These are organic compounds containing a benzene ring with a formyl substituent.
External Descriptors
Not available