Compound Identification
SMILES
[Na+].C=O.CC1=CC=CC=C1[O-].OC1=CC2=C(C=C1)C=C(C=C2)S(O)(=O)=O
InChIKey
InChIKey=UUHXJCXCPFHTIP-UHFFFAOYSA-M
Formula
C18H17NaO6S
Mass
384.38
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 Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds Toluenes Phenoxides 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Aldehydes Organic cations
Molecular Framework
Not available
Substituents
2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 2-naphthol - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Phenoxide - Toluene - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic alkali metal salt - Aldehyde - Organic oxygen compound - Organic salt - Organic sodium salt - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic cation - 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