Structure Information
Structure

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

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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

p-Methylbenzenesulfonates

Alternative Parents

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

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