Compound Identification
SMILES
CC1=CC(NC2=NC(=O)C(S2)=CC2=CC=C(O2)C2=CC(C(O)=O)=C(Cl)C=C2)=CC(C)=C1
InChIKey
InChIKey=SWGPWYBLTQZMLJ-UHFFFAOYSA-N
Formula
C23H17ClN2O4S
Mass
452.91
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
-
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
2-halobenzoic acids Benzoic acids m-Xylenes Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Aniline and substituted anilines Chlorobenzenes Aryl chlorides Vinylogous halides Thiazolines Furans Heteroaromatic compounds N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid - Halobenzoic acid - 2-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - M-xylene - Xylene - Aniline or substituted anilines - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Meta-thiazoline - Furan - Heteroaromatic compound - Isothiourea - N-acylimine - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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