Compound Identification
SMILES
COC1=C(OS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=CC(=C1)C1=C(NC2CCCCC2)N2C=C(Br)C=CC2=N1
InChIKey
InChIKey=ZYFQMOMJQQOJRC-UHFFFAOYSA-N
Formula
C30H28BrN3O4S
Mass
606.54
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
-
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
2-naphthalene sulfonic acids and derivatives Phenylimidazoles Arylsulfonic acids and derivatives Imidazo[1,2-a]pyridines Imidazopyridines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyridines and derivatives Aminoimidazoles Organosulfonic acid esters Aryl bromides N-substituted imidazoles Sulfonyls Heteroaromatic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives Organic oxides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 5-phenylimidazole - 4-phenylimidazole - Arylsulfonic acid or derivatives - Imidazopyridine - Imidazo[1,2-a]pyridine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - N-substituted imidazole - Monocyclic benzene moiety - Organosulfonic acid ester - Aryl halide - Aryl bromide - Pyridine - Aminoimidazole - Imidazole - Sulfonyl - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azacycle - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic 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