Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CN1N=CN=C1SCC1(OCC(CO)O1)C1=C(F)C=C(F)C=C1
InChIKey
InChIKey=MLENWZZKQYTALZ-UHFFFAOYSA-N
Formula
C21H23F2N3O6S2
Mass
515.55
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 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Alkylarylthioethers Fluorobenzenes Ketals Aryl fluorides Triazoles Sulfonyls 1,3-dioxolanes Organosulfonic acids Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Primary alcohols Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Aryl thioether - Toluene - Alkylarylthioether - Halobenzene - Fluorobenzene - Ketal - Aryl halide - Aryl fluoride - Organic sulfonic acid or derivatives - Organosulfonic acid - Organosulfonic acid or derivatives - Sulfonyl - 1,2,4-triazole - Heteroaromatic compound - Azole - Meta-dioxolane - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Primary alcohol - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic 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