Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC(COC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C1OC(C)(C)OC1C(SCC1=CC=CC=C1)SCC1=CC=CC=C1
InChIKey
InChIKey=NCVAHCAVROECCP-UHFFFAOYSA-N
Formula
C36H37NO9S3
Mass
723.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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 Benzenesulfonate esters Tosyl compounds Benzoic acid esters Nitrobenzenes Benzenesulfonyl compounds Arylsulfonic acids and derivatives Nitroaromatic compounds Benzoyl derivatives Ketals Organosulfonic acid esters Sulfonyls Dithioacetals 1,3-dioxolanes Carboxylic acid esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Dialkylthioethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonate - Benzoate ester - Benzenesulfonyl group - Nitrobenzene - Arylsulfonic acid or derivatives - Nitroaromatic compound - Benzoyl - Ketal - Toluene - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thioacetal - Meta-dioxolane - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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