Compound Identification
SMILES
[Ba++].CCOC1=CC=CC=C1NC(=O)C1=CC2=CC=CC=C2C(=NNC2=C(Cl)C=CC(=C2CC)S(O)(=O)=O)C1=O
InChIKey
InChIKey=IBHGFRPBGWDITJ-UHFFFAOYSA-N
Formula
C27H24BaClN3O6S
Mass
691.34
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 Phenylhydrazines Phenoxy compounds Phenol ethers N-arylamides Alkyl aryl ethers Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Cyclic ketones Secondary carboxylic acid amides Hydrazones Organic metal halides Organic oxides Organochlorides Organopnictogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalenecarboxylic acid or derivatives - Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Anilide - Phenylhydrazine - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Ketone - Cyclic ketone - Secondary carboxylic acid amide - Organic metal halide - Carboxylic acid derivative - Ether - Hydrazone - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - 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