Compound Identification
SMILES
CCOC(=O)C1=CC=C(C=C1)N=C1SC(CC(=O)N1CCC1=CC(OC)=C(OC)C=C1)C(=O)NC1=CC=C(I)C=C1
InChIKey
InChIKey=PLSPQKSHGOOPNY-UHFFFAOYSA-N
Formula
C30H30IN3O6S
Mass
687.55
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
Dimethoxybenzenes Anilides Anisoles Benzoyl derivatives Phenoxy compounds N-arylamides Alkyl aryl ethers Iodobenzenes Thiazinanes Aryl iodides Isothioureas Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organoiodides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dimethoxybenzene - O-dimethoxybenzene - Benzoate ester - Anilide - Phenol ether - N-arylamide - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Alkyl aryl ether - Halobenzene - Iodobenzene - 1,3-thiazinane - Aryl halide - Aryl iodide - Carboxamide group - Carboxylic acid ester - Isothiourea - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organohalogen compound - Organoiodide - 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