Compound Identification
SMILES
CCOC(=O)CNC1=C(N=C2C=CC(Cl)=CN12)C1=CC(OS(=O)(=O)C2=CC=CC3=CC=CC=C23)=CC=C1
InChIKey
InChIKey=IRARIPSFUWMGPA-UHFFFAOYSA-N
Formula
C27H22ClN3O5S
Mass
536.0
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 esters Phenylimidazoles Arylsulfonic acids and derivatives Imidazo[1,2-a]pyridines Imidazopyridines Phenoxy compounds N-substituted imidazoles Pyridines and derivatives Aryl chlorides Aminoimidazoles Organosulfonic acid esters Heteroaromatic compounds Sulfonyls Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Amines Hydrocarbon derivatives Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Alpha-amino acid ester - 4-phenylimidazole - 5-phenylimidazole - Alpha-amino acid or derivatives - Imidazo[1,2-a]pyridine - Imidazopyridine - Arylsulfonic acid or derivatives - Phenoxy compound - Monocyclic benzene moiety - N-substituted imidazole - Organosulfonic acid ester - Aryl halide - Aryl chloride - Pyridine - Aminoimidazole - Imidazole - Heteroaromatic compound - Azole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic 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