Compound Identification
SMILES
COC1=C2N=C(C)C=C(NC3=C4C(C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)=C(C=C3)S(O)(=O)=O)C2=C(OC)C(=C1)[N+]([O-])=O
InChIKey
InChIKey=LFUCQORKIXFSKP-UHFFFAOYSA-N
Formula
C22H19N3O13S3
Mass
629.58
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 Nitroquinolines and derivatives 4-aminoquinolines 1-sulfo,2-unsubstituted aromatic compounds Methoxyanilines Anisoles Nitroaromatic compounds Alkyl aryl ethers Aminopyridines and derivatives Methylpyridines Primary aromatic amines Heteroaromatic compounds Sulfonyls Organosulfonic acids Organic oxoazanium compounds Azacyclic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalene sulfonate - Nitroquinoline - Aminoquinoline - 4-aminoquinoline - Quinoline - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Methoxyaniline - Anisole - Nitroaromatic compound - Phenol ether - Methylpyridine - Alkyl aryl ether - Aminopyridine - Pyridine - Primary aromatic amine - Organosulfonic acid - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Organic sulfonic acid or derivatives - C-nitro compound - Organic nitro compound - Azacycle - Ether - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxide - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - 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