Compound Identification
SMILES
CCC(CC)(OC(=O)C1=C(I)C=CC(I)=C1I)C1=CC=C(C=C1)[S+](C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=JPUWVTUSUWWHKT-UHFFFAOYSA-N
Formula
C30H26I3O2S
Mass
831.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
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
Benzyloxycarbonyls 3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Phenylpropanes Benzoyl derivatives Iodobenzenes Aryl iodides Vinylogous halides Carboxylic acid esters Monocarboxylic acids and derivatives Organosulfur compounds Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzyloxycarbonyl - Benzoate ester - Phenylpropane - Benzoyl - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Vinylogous halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organoiodide - Organohalogen compound - Organic cation - Aromatic homomonocyclic 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