Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.OCCCC1=C(OCC2=CC=CC=C2)C=C2CCOC2=C1
InChIKey
InChIKey=OYJNIUMYPWIPEE-UHFFFAOYSA-N
Formula
C25H28O6S
Mass
456.55
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 Coumarans Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Phenol ethers Alkyl aryl ethers Sulfonyls Organosulfonic acids Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Coumaran - 1-sulfo,2-unsubstituted aromatic compound - Phenol ether - Alkyl aryl ether - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Alcohol - Organic oxide - Primary alcohol - Organic oxygen compound - 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