Compound Identification
SMILES
[Ca++].CCc1cc(\N=N\c2c(O)cc(C([O-])=O)c3ccccc23)c(cc1Cl)S([O-])(=O)=O
InChIKey
InChIKey=XFBYVZFACYDNIR-QUABFQRHSA-L
Formula
C19H13CaClN2O6S
Mass
472.91
Taxonomic Classification
Taxonomy Tree
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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 Benzenesulfonic acids and derivatives Hydroxybenzoic acid derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Azo compounds Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Organic metal halides Organic calcium salts Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalenecarboxylic acid - 2-naphthol - Benzenesulfonate - Hydroxybenzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Halobenzene - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Organosulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azo compound - Carboxylic acid salt - Carboxylic acid - Organic 1,3-dipolar compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic metal halide - Organic calcium salt - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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