Compound Identification
SMILES
CC1=CC(C)=C(C(C)=C1)S([O-])(=O)=O.CC[C@@H](O)[C@@](C)(O)[C@@H]1O[C@@H](O[C@@H]([C@H](C)C[C@@](C)(O)[C@@H]2OC(O[C@H]([C@@H](C)C(=O)[N+]3=CC=C(C=C3)N(C)C)[C@@H]2C)C2=CC(OC)=C(OC)C=C2)[C@@H]1C)C1=C(C)C=C(C)C=C1C
InChIKey
InChIKey=KANSTDVWMBABBA-ZTGZXKJTSA-M
Formula
C56H80N2O13S
Mass
1021.32
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 p-Methylbenzenesulfonates
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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
p-Methylbenzenesulfonates
Alternative Parents
Dimethoxybenzenes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Anisoles Dialkylarylamines Alkyl aryl ethers Aminopyridines and derivatives Pyridinium derivatives 1,3-dioxanes Tertiary alcohols Sulfonyls Organosulfonic acids Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Acetals Azacyclic compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - O-dimethoxybenzene - Dimethoxybenzene - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Aminopyridine - Meta-dioxane - Pyridine - Pyridinium - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary alcohol - Tertiary amine - Secondary alcohol - Acetal - Azacycle - Oxacycle - Organoheterocyclic compound - Ether - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organopnictogen compound - Organic nitrogen compound - Alcohol - 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