Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCC\C=C\[C@@H](OC1CCCCO1)[C@H](COP(OC)OCC[N+](C)(C)C)NC(=O)CCCCCCC
InChIKey
InChIKey=ACHUMXJNGYTPAO-VHHZHMCKSA-N
Formula
C44H81N2O9PS
Mass
845.17
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 p-Methylbenzenesulfonates
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Subclass
Benzenesulfonic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Methylbenzenesulfonates
Alternative Parents
Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Trialkylphosphites Oxanes N-acyl amines Tetraalkylammonium salts Sulfonyls Organosulfonic acids Organic phosphites Secondary carboxylic acid amides Oxacyclic compounds Acetals Hydrocarbon derivatives Carbonyl compounds Organic oxides Amines Organic zwitterions Organopnictogen compounds
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Trialkylphosphite - Toluene - Fatty amide - N-acyl-amine - Oxane - Fatty acyl - Organic phosphite - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tetraalkylammonium salt - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organosulfur compound - Organic oxide - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
External Descriptors
Not available