Compound Identification
SMILES
CC1=CC(C(=O)NC2=C(O)C3=C(C=CC=C3S(O)(=O)=O)C=C2)=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=INUMENOZCYXAJI-UHFFFAOYSA-N
Formula
C18H14N2O7S
Mass
402.38
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 Naphthols and derivatives m-Toluamides 1-sulfo,2-unsubstituted aromatic compounds Benzamides Nitrotoluenes Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds 1-hydroxy-4-unsubstituted benzenoids Sulfonyls Organosulfonic acids Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 1-naphthol - Arylsulfonic acid or derivatives - Benzamide - Benzoic acid or derivatives - Nitrobenzene - 1-sulfo,2-unsubstituted aromatic compound - Nitrotoluene - Toluamide - M-toluamide - Benzoyl - Nitroaromatic compound - Phenol - Toluene - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic cation - Aromatic homopolycyclic 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