Compound Identification
SMILES
CC1(C)OC(=O)C(=CC2=CC=C(O2)C2=CC(C(O)=O)=C(Cl)C=C2)C(=O)O1
InChIKey
InChIKey=KKYNHDQGFRBQTE-UHFFFAOYSA-N
Formula
C18H13ClO7
Mass
376.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Halobenzoic acids and derivatives
- Level 6 Halobenzoic acids
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Level 5
Halobenzoic acids and derivatives
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
Halobenzoic acids
Alternative Parents
2-halobenzoic acids Tricarboxylic acids and derivatives Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Ketals Chlorobenzenes 1,3-dioxanes Aryl chlorides Vinylogous halides Heteroaromatic compounds Enoate esters Furans Lactones Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halobenzoic acid - 2-halobenzoic acid - 2-halobenzoic acid or derivatives - Benzoic acid - Tricarboxylic acid or derivatives - Benzoyl - 1-carboxy-2-haloaromatic compound - Ketal - Halobenzene - Chlorobenzene - Meta-dioxane - Aryl chloride - Aryl halide - Heteroaromatic compound - Furan - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous halide - Lactone - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
External Descriptors
Not available