Compound Identification
SMILES
COC1=CC(SCC2=C(SC(=C2)C2=CC(OC3CCCC3)=C(OC)C=C2)C2=CC=C(C=C2)C(O)=O)=CC=C1
InChIKey
InChIKey=YBFNITNDHSLZMT-UHFFFAOYSA-N
Formula
C31H30O5S2
Mass
546.7
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 acids
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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 acids
Alternative Parents
Thiophenol ethers Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles 2,3,5-trisubstituted thiophenes Alkylarylthioethers Alkyl aryl ethers Heteroaromatic compounds Sulfenyl compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Phenoxy compound - Aryl thioether - Anisole - Benzoyl - Methoxybenzene - Phenol ether - 2,3,5-trisubstituted thiophene - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Heteroaromatic compound - Thiophene - Thioether - Organoheterocyclic compound - Ether - Carboxylic acid - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available