Compound Identification
SMILES
CC(O)CCCC1(CCCCCC2=CC(OCC3=CC=CC=C3)=CC(OCC3=CC=CC=C3)=C2C(O)=O)SCCCS1
InChIKey
InChIKey=IQHXHQHSTQXIGD-UHFFFAOYSA-N
Formula
C35H44O5S2
Mass
608.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
-
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 Phenol ethers Benzoyl derivatives Dithioketals Alkyl aryl ethers Dithianes Secondary alcohols Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Dithioketal - 1,3-dithiane - Thioacetal - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Dialkylthioether - Thioether - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Organooxygen compound - 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