Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CCCCN1C2CCC1CC(C2)C1=COC2=C1C=CC=C2CC

InChIKey

InChIKey=HLBWNMWFQDWQSG-UHFFFAOYSA-N

Formula

C28H37NO4S

Mass

483.67

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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 - Tosyl compound - Tropane alkaloid - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzofuran - Benzenesulfonyl group - Aralkylamine - Toluene - N-alkylpyrrolidine - Piperidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Pyrrolidine - Furan - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic 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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