Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CCN(CC)CCN(CCNCCC1=C2SC(=O)NC2=C(O)C=C1)C(=O)CCOCCC1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=SZEJGDOFEBGCPE-UHFFFAOYSA-N
Formula
C39H50N4O7S2
Mass
750.97
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
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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
Naphthalenes Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzothiazoles Phenethylamines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Organosulfonic acids Heteroaromatic compounds Sulfonyls Tertiary carboxylic acid amides Thiazoles Trialkylamines Amino acids and derivatives Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Naphthalene - Tosyl compound - Arylsulfonic acid or derivatives - 1,3-benzothiazole - Benzenesulfonyl group - Phenethylamine - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Aralkylamine - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary carboxylic acid amide - Thiazole - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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