Compound Identification
SMILES
CC1=C(Cl)C(NC2=CC(N)=C(C=C2N=NC2=CC(=C3C=C(C=C(C3=C2)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)=NC(F)=N1
InChIKey
InChIKey=FFBJLVGMAYBWBG-UHFFFAOYSA-N
Formula
C21H16ClFN6O12S4
Mass
727.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
-
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
1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonic acids and derivatives Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aniline and substituted anilines 2-halopyrimidines Aminopyrimidines and derivatives Imidolactams Aryl fluorides Aryl chlorides Heteroaromatic compounds Organosulfonic acids Sulfonyls Azo compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalene sulfonate - Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Aniline or substituted anilines - Halopyrimidine - Aminopyrimidine - 2-halopyrimidine - Imidolactam - Pyrimidine - Aryl fluoride - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Primary amine - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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