Compound Identification
SMILES
[Ca++].CCC1=CC(N\N=C2/C(=O)C=C(C([O-])=O)C3=CC=CC=C23)=C(C=C1Cl)S([O-])(=O)=O
InChIKey
InChIKey=RUNZMEQZYBGOLR-QNCGTCMPSA-L
Formula
C19H13CaClN2O6S
Mass
472.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalenecarboxylic acids and derivatives
- Level 5 Naphthalenecarboxylic acids
-
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 Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Carboxylic acid salts Cyclic ketones Organic metal halides Organic calcium salts Carboxylic acids Monocarboxylic acids and derivatives Hydrazones Organochlorides Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalenecarboxylic acid - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenylhydrazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Carboxylic acid salt - Ketone - Cyclic ketone - Organic calcium salt - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic salt - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - 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