Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2)C=C2[C@H]([C@H](COS(=O)(=O)C3=CC=C(C)C=C3)[C@H](CCCl)C2=C1)C1=CC(OC)=C(OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=FPZBSKUPTSEVDZ-LAJCZGGMSA-N
Formula
C41H41ClO7S
Mass
713.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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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
Benzenesulfonate esters
Alternative Parents
p-Methylbenzenesulfonates Tosyl compounds Indanes Benzenesulfonyl compounds Arylsulfonic acids and derivatives Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organosulfonic acid esters Sulfonyls Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Indane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Alkyl chloride - Alkyl halide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available