Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)C(OC(=O)C1=CC=CC=C1SC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C1=CC=CC=C1
InChIKey
InChIKey=UXPRFHAXGYGHNE-UHFFFAOYSA-N
Formula
C28H20N2O8S
Mass
544.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Stilbenes
Subclass
Benzoins
Intermediate Tree Nodes
Not available
Direct Parent
Benzoins
Alternative Parents
Alkyl-phenylketones Diarylthioethers Benzoic acid esters Benzyloxycarbonyls O-sulfanylbenzoic acids and derivatives Nitrobenzenes Anisoles Aryl alkyl ketones Thiophenol ethers Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Vinylogous thioesters Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoin - Alkyl-phenylketone - Diarylthioether - O-sulfanylbenzoic acid or derivatives - Benzyloxycarbonyl - Benzoate ester - Nitrobenzene - Benzoic acid or derivatives - Phenylketone - Thiophenol ether - Anisole - Methoxybenzene - Benzoyl - Nitroaromatic compound - Aryl thioether - Aryl alkyl ketone - Aryl ketone - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Organic nitro compound - Carboxylic acid ester - Ketone - C-nitro compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic nitrogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organooxygen compound - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoins. These are organic compounds containing a 1,2-hydroxy ketone attached to two phenyl groups.
External Descriptors
Not available