Compound Identification
SMILES
CC(C)(CC1=CC=C(OCC=O)C=C1)OSC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=AINSZJXQHXGVAQ-UHFFFAOYSA-N
Formula
C18H19NO5S
Mass
361.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Phenylpropanes Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Organic thioperoxides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Phenylpropane - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic thioperoxide - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Ether - Organic oxoazanium - Organic salt - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available