Compound Identification
SMILES
CCC1=C2CC(C)(C)CCC2=C(S1)C(=O)CCC1=CC(C)=C(CCCNC(=O)CO)C(C)=C1
InChIKey
InChIKey=IFQSHHCNVNOFSE-UHFFFAOYSA-N
Formula
C28H39NO3S
Mass
469.68
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
m-Xylenes
Alternative Parents
Aryl alkyl ketones Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl ketone - Aryl alkyl ketone - M-xylene - Thiophene - Heteroaromatic compound - Carboxamide group - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
External Descriptors
Not available