Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2(O[C@@]1(C)C1=CC=CC=C21)SC

InChIKey

InChIKey=CFQQJGIYFXWJBM-APYUEPQZSA-N

Formula

C16H18O5S

Mass

322.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalenecarboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Naphthalenecarboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-naphthalenecarboxylic acid - Tetralin - Isocoumaran - Monothioketal - Dicarboxylic acid or derivatives - Monothioacetal - Oxolane - Methyl ester - Carboxylic acid ester - Oxacycle - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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

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