Compound Identification
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)C1=C(C=CC(NC(=O)C(Br)=C)=C1)N=NC1=CC=CC2=C1C=CC(=C2)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=OMGGAFJCEHGKJR-UHFFFAOYSA-N
Formula
C26H20BrN3O9S3
Mass
694.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Anilides Benzenesulfonyl compounds N-arylamides Toluenes Sulfones Organosulfonic acids Secondary carboxylic acid amides Azo compounds Vinyl bromides Bromoalkenes Propargyl-type 1,3-dipolar organic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anilide - 1-sulfo,2-unsubstituted aromatic compound - N-arylamide - Toluene - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Sulfone - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl bromide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - 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