Compound Identification
SMILES
COC1=CC=C(CCCCCC(C(O)=O)S(=O)(=O)C2=CC=C(C)C=C2)C=C1
InChIKey
InChIKey=DVPNPCWHBKJLIG-UHFFFAOYSA-N
Formula
C21H26O5S
Mass
390.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Tosyl compounds
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Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Tosyl compounds
Alternative Parents
Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Medium-chain fatty acids Anisoles Thia fatty acids Alkyl aryl ethers Sulfones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Tosyl compound - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Medium-chain fatty acid - Alkyl aryl ether - Thia fatty acid - Fatty acyl - Fatty acid - Sulfone - Sulfonyl - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom).
External Descriptors
Not available