Compound Identification
SMILES
CCCCCCC1=CC=C(C=C1)C1=CC=C(S1)C1=CC(C(O)=O)=C(C=C1OC=O)C1=CC=C(S1)C1=CC=C(CCCCCC)C=C1
InChIKey
InChIKey=PGXJZTWTKCDXCA-UHFFFAOYSA-N
Formula
C40H42O4S2
Mass
650.89
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
-
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 acids
Alternative Parents
Phenoxy compounds Benzoyl derivatives 2,5-disubstituted thiophenes Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Phenoxy compound - Benzoyl - 2,5-disubstituted thiophene - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Carbonyl group - 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