Compound Identification
SMILES
N\N=N\C1=C(C=C(C2=CC=CC=C12)S(O)(=O)=O)/N=N/C1=CN=C(C=C1)C1=CC=CC(=C1)C#N
InChIKey
InChIKey=SOTRLWCVPCIFSM-CYYJNZCTSA-N
Formula
C22H15N7O3S
Mass
457.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Level 5
Naphthalene sulfonates
- Level 6 1-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
1-naphthalene sulfonates
Alternative Parents
1-naphthalene sulfonic acids and derivatives Phenylpyridines 1-sulfo,2-unsubstituted aromatic compounds Benzonitriles Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - 2-phenylpyridine - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzonitrile - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available