Structure Information
Structure

Compound Identification

SMILES

CCCC[C@@]12[C@H](C[C@@H]([C@@H]([C@H](C)C3=CC=CO3)C(=O)[C@@H]1CCOS(=O)(=O)C1=CC=C(C)C=C1)N2C(=O)OC(C)(C)C)OCOC

InChIKey

InChIKey=WOBIQKZWAWDOPJ-CWGGULICSA-N

Formula

C33H47NO9S

Mass

633.8

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Tropane alkaloid - Piperidinecarboxylic acid - Benzenesulfonyl group - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Toluene - Piperidinone - Piperidine - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Pyrrolidine - Carbamic acid ester - Furan - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Cyclic ketone - Ketone - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aldehyde - Organic nitrogen compound - Aromatic heteropolycyclic 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

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