Compound Identification
SMILES
COC(=O)CCSC1=CC(C(=O)OC)=C(O)C2=CC=CC=C12
InChIKey
InChIKey=DFDNAQCOGRVPJQ-UHFFFAOYSA-N
Formula
C16H16O5S
Mass
320.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalenecarboxylic acids and derivatives
- Level 5 Naphthalenecarboxylic acids
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Subclass
Naphthalenecarboxylic acids and derivatives
-
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
Alternative Parents
Naphthols and derivatives Salicylic acid and derivatives M-sulfanylbenzoic acids and derivatives Thiophenol ethers Phenols Alkylarylthioethers Vinylogous acids Methyl esters Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalenecarboxylic acid - 1-naphthol - M-sulfanylbenzoic acid or derivatives - Salicylic acid or derivatives - Aryl thioether - Thiophenol ether - Phenol - Alkylarylthioether - Vinylogous acid - Methyl ester - Carboxylic acid ester - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Sulfenyl compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available