Compound Identification
SMILES
ClC1=CC=C(C=C1)C1(CBr)OCC(COS(=O)(=O)C2=CC3=CC=CC=C3C=C2)O1
InChIKey
InChIKey=OMHTZIPKBUNAIG-UHFFFAOYSA-N
Formula
C21H18BrClO5S
Mass
497.78
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
-
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 Arylsulfonic acids and derivatives Ketals Chlorobenzenes Organosulfonic acid esters Aryl chlorides Sulfonyls 1,3-dioxolanes Oxacyclic compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - Chlorobenzene - Halobenzene - Ketal - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Meta-dioxolane - Organoheterocyclic compound - Acetal - Oxacycle - Organosulfur compound - Organohalogen compound - Hydrocarbon derivative - Alkyl bromide - Organobromide - Organochloride - Organic oxide - Alkyl halide - Organooxygen compound - Organic oxygen compound - 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