Compound Identification
SMILES
OC(=O)COC1=CC=C(C(=O)C2=CSC=C2)C2=CC=CC=C12
InChIKey
InChIKey=HIWLTQJPMGMUKP-UHFFFAOYSA-N
Formula
C17H12O4S
Mass
312.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenecarboxylic acids and derivatives
Alternative Parents
3-aroylthiophenes Phenoxyacetic acid derivatives Thiophene carboxylic acids and derivatives Phenol ethers Aryl ketones Alkyl aryl ethers Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalenecarboxylic acid or derivatives - 3-aroylthiophene - Phenoxyacetate - Phenol ether - Thiophene carboxylic acid or derivatives - Aryl ketone - Alkyl aryl ether - Thiophene - Heteroaromatic compound - Ketone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids and derivatives. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group or a derivative at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available