Compound Identification
SMILES
CC(C)(OC1=CC=C(C=C1)S(C)(=O)=O)C1OCC(C\C=C/CCC(O)=O)C(O1)C1=CN=CC=C1
InChIKey
InChIKey=XBKOWOLBIDWMHF-PLNGDYQASA-N
Formula
C25H31NO7S
Mass
489.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzenesulfonyl compounds
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonyl compounds
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonyl compounds
Alternative Parents
Phenoxy compounds Phenol ethers Medium-chain fatty acids Alkyl aryl ethers Heterocyclic fatty acids Unsaturated fatty acids Pyridines and derivatives 1,3-dioxanes Sulfones Heteroaromatic compounds Oxacyclic compounds Acetals Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonyl group - Phenoxy compound - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Heterocyclic fatty acid - Meta-dioxane - Pyridine - Unsaturated fatty acid - Fatty acid - Fatty acyl - Sulfone - Sulfonyl - Heteroaromatic compound - Azacycle - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
External Descriptors
Not available