Compound Identification
SMILES
[Na+].ClC1=NC(=O)N=C(Cl)N1.CC(C)CC1=CC=CC2=C(CC(C)C)C=C(C=C12)S([O-])(=O)=O
InChIKey
InChIKey=XTTAQGONGHQTLQ-UHFFFAOYSA-M
Formula
C21H24Cl2N3NaO4S
Mass
508.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Naphthalenes
-
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 1-sulfo,2-unsubstituted aromatic compounds Triazinones Chloro-s-triazines Aryl chlorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Organic metal halides Hydrocarbon derivatives Organic oxides Organic sodium salts Organooxygen compounds Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Not available
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Chloro-s-triazine - Halo-s-triazine - Triazinone - Aryl chloride - Aryl halide - 1,3,5-triazine - Triazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid - Sulfonyl - Organic metal halide - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic sodium salt - Organic salt - Organic cation - Aromatic heteropolycyclic 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