Compound Identification
SMILES
[Ca++].Oc1c(cc2ccccc2c1\N=N\c1ccc2cc(ccc2c1)S([O-])(=O)=O)C([O-])=O
InChIKey
InChIKey=LAAOARBVYOIMGK-PGCQSHBKSA-L
Formula
C21H12CaN2O6S
Mass
460.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Naphthalenes
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Subclass
Naphthalene sulfonic acids and derivatives
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Level 5
Naphthalene sulfonates
- Level 6 2-naphthalene sulfonates
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Level 5
Naphthalene sulfonates
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Subclass
Naphthalene sulfonic acids and derivatives
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Naphthalene sulfonates
Direct Parent
2-naphthalene sulfonates
Alternative Parents
2-naphthalene sulfonic acids and derivatives Naphthalenecarboxylic acids Naphthols and derivatives Salicylic acid and derivatives 1-sulfo,2-unsubstituted aromatic compounds Vinylogous acids Sulfonyls Organosulfonic acids Azo compounds Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic calcium salts Organopnictogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - 2-naphthol - Hydroxybenzoic acid - Salicylic acid or derivatives - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous acid - Azo compound - Carboxylic acid salt - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic calcium salt - Organic nitrogen compound - Organopnictogen compound - Organic salt - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available