Compound Identification
SMILES
[Ca++].Oc1c(cc2ccccc2c1\N=N\c1ccc(Cl)c(c1)S([O-])(=O)=O)C([O-])=O
InChIKey
InChIKey=VIZJOGBLIXKRJU-RZLHGTIFSA-L
Formula
C17H9CaClN2O6S
Mass
444.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
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Class
Naphthalenes
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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
Naphthols and derivatives Salicylic acid and derivatives Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Chlorobenzenes Aryl chlorides Vinylogous acids Sulfonyls Organosulfonic acids Azo compounds Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Organic metal halides Carboxylic acids Organic calcium salts Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalenecarboxylic acid - 2-naphthol - Salicylic acid or derivatives - Benzenesulfonate - Hydroxybenzoic acid - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous acid - Azo compound - Carboxylic acid salt - Organic calcium salt - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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