Compound Identification
SMILES
CCS[C@@H]1O[C@H](COC(=O)C2=CC=CC=C2)[C@H](O)[C@H](OCC2=CC(I)=C(OC)C=C2)[C@H]1OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=RRMQHAGFMSAABP-OMGJHBBHSA-N
Formula
C30H31IO8S
Mass
678.53
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
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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
Benzylethers Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Iodobenzenes Fatty acid esters Alkyl aryl ethers Oxanes Monosaccharides Dicarboxylic acids and derivatives Monothioacetals Enoate esters Secondary alcohols Vinyl iodides Sulfenyl compounds Oxacyclic compounds Iodoalkenes Dialkyl ethers Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzylether - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - Iodobenzene - Halobenzene - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Oxane - Monosaccharide - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Monothioacetal - Secondary alcohol - Carboxylic acid ester - Oxacycle - Iodoalkene - Haloalkene - Organoheterocyclic compound - Sulfenyl compound - Vinyl iodide - Vinyl halide - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organoiodide - Organohalogen compound - Alcohol - 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