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
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
Tetralins Isocoumarans Monothioketals Dicarboxylic acids and derivatives Oxolanes Methyl esters Sulfenyl compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
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