Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.CCSC[N+]1(C)CCN(C)CC1
InChIKey
InChIKey=FDZDGFPECVZQMV-UHFFFAOYSA-M
Formula
C16H28N2O3S2
Mass
360.53
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
Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds N-methylpiperazines Tetraalkylammonium salts Sulfonyls Organosulfonic acids Trialkylamines Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Toluene - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tetraalkylammonium salt - Tertiary aliphatic amine - Tertiary amine - Thioether - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Dialkylthioether - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic cation - 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