Compound Identification
SMILES
OC(=O)C1=CC(C2=CC=C(O2)\C=C2\SC3=CC=CC=C3C2=O)=C(Cl)C=C1
InChIKey
InChIKey=ZAIJEFRSGGUKBX-VCHYOVAHSA-N
Formula
C20H11ClO4S
Mass
382.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Halobenzoic acids and derivatives
- Level 6 Halobenzoic acids
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Level 5
Halobenzoic acids and derivatives
-
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
4-halobenzoic acids Benzoic acids Aryl ketones Aryl thioethers Benzoyl derivatives Chlorobenzenes Vinylogous thioesters Aryl chlorides Heteroaromatic compounds Furans Thioenol ethers Carboxylic acids Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Halobenzoic acid - 4-halobenzoic acid - 4-halobenzoic acid or derivatives - Benzoic acid - Aryl thioether - Benzoyl - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous thioester - Heteroaromatic compound - Furan - Thioenolether - Ketone - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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