Compound Identification
SMILES
COC1OCC(OC(=O)C2=CC(=CC(=C2)[N+]([O-])=O)[N+]([O-])=O)C(OS(=O)(=O)C2=CC=C(C)C=C2)C1OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=WQNROMUETAWROW-UHFFFAOYSA-N
Formula
C27H24N2O13S
Mass
616.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzoic acids and derivatives
Alternative Parents
p-Methylbenzenesulfonates O-glycosyl compounds Benzenesulfonate esters Tosyl compounds Benzoic acid esters Nitrobenzenes Benzenesulfonyl compounds Arylsulfonic acids and derivatives Nitroaromatic compounds Benzoyl derivatives Oxanes Organosulfonic acid esters Monosaccharides Dicarboxylic acids and derivatives Sulfonyls Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Benzenesulfonate ester - P-methylbenzenesulfonate - O-glycosyl compound - Glycosyl compound - Tosyl compound - Benzenesulfonate - Benzoate ester - Benzenesulfonyl group - Nitrobenzene - Arylsulfonic acid or derivatives - Nitroaromatic compound - Benzoyl - Toluene - Organosulfonic acid ester - Oxane - Monosaccharide - Dicarboxylic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available