Compound Identification
SMILES
CCC(OC1=CC(=C(O)C=C1)C(C)(C)C)C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC1C(NC2=C(Cl)C=C(C=C2)C(=O)OC(C)(C)C)=NN(C1=O)C1=C(Cl)C=C(Cl)C=C1Cl
InChIKey
InChIKey=XZBIMSIOAQHTPM-UHFFFAOYSA-N
Formula
C40H41Cl4N5O8S
Mass
893.66
Taxonomic Classification
Taxonomy Tree
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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
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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
3-halobenzoic acids and derivatives Alpha amino acids and derivatives Benzenesulfonamides 4-alkoxyphenols Phenylpropanes Anilides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Aniline and substituted anilines Benzoyl derivatives N-arylamides Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Imidolactams Fatty amides Pyrazolones Aryl chlorides Organosulfonamides Aminosulfonyl compounds Secondary carboxylic acid amides Amidrazones Carboxylic acid esters Amidines Azacyclic compounds Organic oxides Amines Hydrocarbon derivatives Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonamide - Alpha-amino acid or derivatives - Phenylpropane - 4-alkoxyphenol - Anilide - Benzenesulfonyl group - Phenol ether - Aniline or substituted anilines - Benzoyl - Phenoxy compound - N-arylamide - Phenol - Chlorobenzene - Alkyl aryl ether - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Organosulfonic acid amide - Fatty acyl - Aryl halide - Fatty amide - Pyrazolinone - Aryl chloride - Imidolactam - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrazoline - Carboxylic acid amidrazone - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Amidine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Amine - 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