Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)NC1=C2C(=CC(C)=C1)C=C(\C(=N\NC1=C(C3=C(C=C1)C=C(C=C3)S(O)(=O)=O)S(O)(=O)=O)C2=O)S(O)(=O)=O
InChIKey
InChIKey=WCPUKPRLHJQQCD-FSRJSHLRSA-N
Formula
C29H23N3O11S3
Mass
685.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
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 p-Toluamides 1-sulfo,2-unsubstituted aromatic compounds Benzamides Phenylhydrazines Benzoyl derivatives Aryl ketones Vinylogous amides Sulfonyls Organosulfonic acids Secondary carboxylic acid amides Hydrazones Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonate - 1-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - Benzamide - P-toluamide - Toluamide - Benzoic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Aryl ketone - Phenylhydrazine - Toluene - Monocyclic benzene moiety - Vinylogous amide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Ketone - Carboxamide group - Secondary carboxylic acid amide - Hydrazone - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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