Compound Identification
SMILES
NCCSC=CC(O)=O.CC1=CC=C(C=C1)S(O)(=O)=O
InChIKey
InChIKey=XLENUPJYBHZFOB-UHFFFAOYSA-N
Formula
C12H17NO5S2
Mass
319.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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Subclass
Benzenesulfonic acids and derivatives
-
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 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Vinylogous thioesters Sulfonyls Organosulfonic acids Acrylic acids and derivatives Thioenol ethers Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Monoalkylamines Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Toluene - Vinylogous thioester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Acrylic acid or derivatives - Amino acid - Thioenolether - Amino acid or derivatives - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic 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