Compound Identification
SMILES
NCC(=O)NC1=C2C(=CC(=C1)S(O)(=O)=O)C=C(\C(=N/NC1=C(C3=C(C=C1)C(=CC=C3)S(O)(=O)=O)S(O)(=O)=O)C2=O)S(O)(=O)=O
InChIKey
InChIKey=YCJUWQWEOSYKRS-LHLOQNFPSA-N
Formula
C22H18N4O14S4
Mass
690.64
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 Alpha amino acid amides 1-sulfo,2-unsubstituted aromatic compounds Phenylhydrazines N-arylamides Aryl ketones Vinylogous amides Sulfonyls Organosulfonic acids Secondary carboxylic acid amides Hydrazones Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenylhydrazine - Aryl ketone - N-arylamide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Hydrazone - Primary aliphatic amine - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - 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