Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.C[S+](C)CCC1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1
InChIKey
InChIKey=QFBALKLCAYCWJH-UHFFFAOYSA-N
Formula
C24H34O5S2
Mass
466.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Methylbenzenesulfonates
Alternative Parents
Tosyl compounds 1-benzopyrans Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Phenols Alkyl aryl ethers Sulfonyls Organosulfonic acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Chromane - Benzopyran - 1-benzopyran - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Alkyl aryl ether - Phenol - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
External Descriptors
Not available