Compound Identification
SMILES
OS(=O)(=O)C1=CC=CC2=C1C=CC=C2S([O-])(=O)=O.CC[NH+](CCCl)CCOC1=C(C=C(O)C(C)=C1)C(C)C
InChIKey
InChIKey=FGIRPPYYUKPXNB-UHFFFAOYSA-N
Formula
C26H34ClNO8S2
Mass
588.13
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
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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 Aromatic monoterpenoids Bicyclic monoterpenoids Phenylpropanes 1-sulfo,2-unsubstituted aromatic compounds 4-alkoxyphenols Cumenes Phenoxy compounds Phenol ethers Ortho cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Sulfonyls Organosulfonic acids Trialkylamines Hydrocarbon derivatives Alkyl chlorides Organic oxides Organic salts Organic zwitterions Organochlorides Organopnictogen compounds
Molecular Framework
Not available
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Arylsulfonic acid or derivatives - Cumene - 4-alkoxyphenol - Phenylpropane - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - O-cresol - Phenol ether - Alkyl aryl ether - Toluene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Ether - Organic zwitterion - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Organooxygen compound - Alkyl chloride - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Amine - 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