Compound Identification
SMILES
CCOC(=O)C(\C=C1/O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC)C(OS(C)(=O)=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=LXIQWSCFEXLHAH-DEHZCZMCSA-N
Formula
C21H27NO11S
Mass
501.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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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
Nitroaromatic compounds Fatty acid esters Ketals Sulfonic acid esters Organosulfonic acid esters Monosaccharides Sulfonyls Oxolanes 1,3-dioxolanes Methanesulfonates Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Ketal - Monosaccharide - Sulfonic acid ester - Organosulfonic acid ester - Fatty acyl - Meta-dioxolane - Methanesulfonate - Oxolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Dialkyl ether - Allyl-type 1,3-dipolar organic compound - Acetal - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organoheterocyclic compound - Oxacycle - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic 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