Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.N[C@@H](CC1=CC2=CC=CC=C2C=C1)C([O-])=O
InChIKey
InChIKey=DBRGKUPIZNUMNX-YDALLXLXSA-M
Formula
C20H20NO5S
Mass
386.44
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 Naphthalenes L-alpha-amino acids 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aralkylamines Sulfonyls Organosulfonic acids Amino acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic anions
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Alpha-amino acid - Alpha-amino acid or derivatives - Naphthalene - L-alpha-amino acid - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aralkylamine - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organic anion - Aromatic homopolycyclic 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