Compound Identification
SMILES
CC(C)COC1=CC=CC=C1C1=NC=C(NC2=C(\N=N\N)C3=CC=CC=C3C(=C2)S(O)(=O)=O)C=C1
InChIKey
InChIKey=PMFLIPMHQCGONW-UHFFFAOYSA-N
Formula
C25H25N5O4S
Mass
491.57
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 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 Phenoxy compounds Phenol ethers Alkyl aryl ethers Aminopyridines and derivatives Primary aromatic amines Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-phenylpyridine - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyridine - Monocyclic benzene moiety - Primary aromatic amine - Pyridine - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Organosulfonic acid - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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