Compound Identification
SMILES
CC1=C(C=C(NN=C2C(=O)C(=CC3=CC=CC=C23)C(O)=O)C=C1Cl)S(O)(=O)=O
InChIKey
InChIKey=KEUOIPMMGLBCTF-UHFFFAOYSA-N
Formula
C18H13ClN2O6S
Mass
420.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Naphthalenes
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Subclass
Naphthalenecarboxylic acids and derivatives
- Level 5 Naphthalenecarboxylic acids
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Subclass
Naphthalenecarboxylic acids and derivatives
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenecarboxylic acids
Alternative Parents
Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Phenylhydrazines Toluenes Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Cyclic ketones Monocarboxylic acids and derivatives Carboxylic acids Hydrazones Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalenecarboxylic acid - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenylhydrazine - Chlorobenzene - Halobenzene - Toluene - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Cyclic ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Monocarboxylic acid or derivatives - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organochloride - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available