Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CCCCN1C2CCC1CC(C2)C1=COC2=C1C=CC=C2CC
InChIKey
InChIKey=HLBWNMWFQDWQSG-UHFFFAOYSA-N
Formula
C28H37NO4S
Mass
483.67
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
-
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 Tropane alkaloids 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzofurans Aralkylamines Piperidines N-alkylpyrrolidines Sulfonyls Organosulfonic acids Furans Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Tropane alkaloid - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzofuran - Benzenesulfonyl group - Aralkylamine - Toluene - N-alkylpyrrolidine - Piperidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Pyrrolidine - Furan - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - 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