Compound Identification
SMILES
CC(C)(C)N(C[C@@H](COCC1=NSN=C1N1CCOCC1)OC(=O)C1=CC=C(CO[N+]([O-])=O)C=C1)C(=O)C1=CC=C(CO[N+]([O-])=O)C=C1
InChIKey
InChIKey=CMDVCAATJUTTKD-VWLOTQADSA-N
Formula
C30H36N6O11S
Mass
688.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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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
Benzoic acid esters
Alternative Parents
Benzamides Benzoyl derivatives Dialkylarylamines Imidolactams Morpholines Thiadiazoles Tertiary carboxylic acid amides Alkyl nitrates Heteroaromatic compounds Carboxylic acid esters Organic nitro compounds Organic nitric acids and derivatives Azacyclic compounds Dialkyl ethers Oxacyclic compounds Organic oxides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzamide - Benzoyl - Dialkylarylamine - Morpholine - Oxazinane - Imidolactam - Azole - Organic nitrate - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiadiazole - Alkyl nitrate - Organic nitro compound - Carboxamide group - Organic nitric acid or derivatives - Carboxylic acid ester - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - Amine - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available