Compound Identification
SMILES
[O-]S([O-])(=O)=O.CC(C)[NH2+]CC(O)C1=C(C)C=CC(C)=C1.CC(C)[NH2+]CC(O)C1=C(C)C=CC(C)=C1
InChIKey
InChIKey=IUJPUMNZQBQMDI-UHFFFAOYSA-N
Formula
C26H44N2O6S
Mass
512.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Xylenes
Intermediate Tree Nodes
Not available
Direct Parent
p-Xylenes
Alternative Parents
Aralkylamines Organic sulfate salts Organic sulfuric acids and derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Not available
Substituents
P-xylene - Aralkylamine - Organic sulfate salt - Organic sulfuric acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organic salt - Organic zwitterion - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
External Descriptors
Not available