Compound Identification
SMILES
COCCN=C(\C=C\C=C\C=C\C=C1\N(CCOCCC(=O)ON2C(=O)CCC2=O)C2=C(C=C(C=C2)S(O)(=O)=O)C1(C)CCOC)C(C)(CCCS(O)(=O)=O)C1=C(C)C=CC(=C1)S(O)(=O)=O
InChIKey
InChIKey=AVRRWKWBKWXLEE-REWNKGEGSA-N
Formula
C44H57N3O16S3
Mass
980.13
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Indoles and derivatives Tertiary alkylarylamines Toluenes Pyrrolidine-2-ones Secondary ketimines Organosulfonic acids Sulfonyls Dicarboximides Alkanesulfonic acids Azomethines Lactams Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Enamines Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methylbenzenesulfonate - Arylsulfonic acid or derivatives - Indole or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Toluene - Pyrrolidone - 2-pyrrolidone - Azomethine - Dicarboximide - Pyrrolidine - Secondary ketimine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Amino acid or derivatives - Tertiary amine - Lactam - Ketimine - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Dialkyl ether - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Imine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - 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