Compound Identification
SMILES
[Ca++].COC1=CC=C(NC(=O)C2=CC3=CC=CC=C3C(=NNC3=C(C(Cl)=C(C)C=C3)S(O)(=O)=O)C2=O)C=C1
InChIKey
InChIKey=BDZIKWXQRHITDB-UHFFFAOYSA-N
Formula
C25H20CaClN3O6S
Mass
566.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- 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 and derivatives
Alternative Parents
Benzenesulfonic acids and derivatives Anilides Arylsulfonic acids and derivatives Benzenesulfonyl compounds Methoxyanilines Anisoles Phenylhydrazines Phenoxy compounds Methoxybenzenes N-arylamides Alkyl aryl ethers Chlorobenzenes Toluenes Aryl chlorides Sulfonyls Organosulfonic acids Cyclic ketones Secondary carboxylic acid amides Hydrazones Organic metal halides Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalenecarboxylic acid or derivatives - Benzenesulfonate - Arylsulfonic acid or derivatives - Anilide - Methoxyaniline - Benzenesulfonyl group - Anisole - Phenoxy compound - Phenol ether - Phenylhydrazine - N-arylamide - Methoxybenzene - Chlorobenzene - Toluene - Halobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Cyclic ketone - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Ether - Organic metal halide - Hydrazone - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organochloride - Organonitrogen compound - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids and derivatives. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group or a derivative at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available