Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.CN1\C(SC2=CC=CC=C12)=C1\S\C(=C\C2=CC=CC=[N+]2C)N(CC2CCCO2)C1=O
InChIKey
InChIKey=APLJXMMGJFTONV-VZXGSGAOSA-M
Formula
C30H31N3O5S3
Mass
609.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
-
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 Benzothiazoles Aryl thioethers N-methylpyridinium compounds Pyridinium derivatives Organosulfonic acids Vinylogous amides Heteroaromatic compounds Sulfonyls Thiazoles Oxolanes Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzo-thiazole - Benzenesulfonyl group - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Toluene - N-methylpyridinium - Pyridinium - Pyridine - Vinylogous amide - Heteroaromatic compound - Organosulfonic acid or derivatives - Azole - Organic sulfonic acid or derivatives - Thiazole - Sulfonyl - Organosulfonic acid - Oxolane - Lactam - Organoheterocyclic compound - Azacycle - Ether - Dialkyl ether - Oxacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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