Compound Identification
SMILES
CC1=C(C=C(N)C=C1)C(=O)NC1=C2C(=CC(=C1)S(O)(=O)=O)C=C(C=C2S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=FIFNFAQOMMFYHP-UHFFFAOYSA-N
Formula
C18H16N2O10S3
Mass
516.51
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
1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonic acids and derivatives Aminobenzoic acids and derivatives o-Toluamides 1-sulfo,2-unsubstituted aromatic compounds Benzamides Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Sulfonyls Organosulfonic acids Amino acids and derivatives Secondary carboxylic acid amides Organooxygen compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Aminobenzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzamide - O-toluamide - Toluamide - Benzoic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Aminotoluene - Aniline or substituted anilines - Toluene - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Organonitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Primary amine - Organic nitrogen compound - 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