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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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 Tropane alkaloids Arylsulfonic acids and derivatives Piperidinecarboxylic acids Benzenesulfonyl compounds Pyrrolidine carboxylic acids Piperidinones Organosulfonic acid esters Sulfonyls Carbamate esters Furans Heteroaromatic compounds Cyclic ketones Azacyclic compounds Acetals Oxacyclic compounds Aldehydes Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
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