Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.COCC1=NN2C(=N1)N=C(C)C=C2SCC1=C(N2[C@@H](SC1)C(N)C2=O)C(=O)OCOC(=O)C(C)(C)C

InChIKey

InChIKey=LXMWUQBUKRKSPS-PBCDJRLTSA-N

Formula

C29H36N6O9S3

Mass

708.82

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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 - Alpha-amino acid or derivatives - Tosyl compound - Arylsulfonic acid or derivatives - Cephem - Benzenesulfonyl group - Triazolopyrimidine - 1-sulfo,2-unsubstituted aromatic compound - Aryl thioether - Toluene - Acylal - Alkylarylthioether - Meta-thiazine - Dicarboxylic acid or derivatives - Pyrimidine - Azole - Beta-lactam - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary carboxylic acid amide - Triazole - 1,2,4-triazole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxamide group - Amino acid or derivatives - Lactam - Azetidine - Carboxylic acid ester - Sulfenyl compound - Dialkylthioether - Organoheterocyclic compound - Acetal - Azacycle - Hemithioaminal - Thioether - Ether - Dialkyl ether - Carboxylic acid derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Primary amine - Organic oxygen 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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