Compound Identification
SMILES
[Ba++].COC1=CC=CC=C1NC(=O)C1=CC2=CC=CC=C2C(=NNC2=C(C=C(Cl)C=C2C)S(O)(=O)=O)C1=O
InChIKey
InChIKey=KGINFIKQIKRNCD-UHFFFAOYSA-N
Formula
C25H20BaClN3O6S
Mass
663.29
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 1-sulfo,2-unsubstituted aromatic compounds Anilides Benzenesulfonyl compounds Methoxyanilines Anisoles Phenylhydrazines Phenoxy compounds Methoxybenzenes N-arylamides Toluenes Chlorobenzenes Alkyl aryl ethers 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 - 1-sulfo,2-unsubstituted aromatic compound - Anilide - Methoxyaniline - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenol ether - Phenylhydrazine - Phenoxy compound - Anisole - N-arylamide - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Cyclic ketone - Carboxamide group - Ketone - Organic metal halide - Carboxylic acid derivative - Ether - Hydrazone - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen 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