Compound Identification
SMILES
OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)C3=CC4=CC=CC=C4C=C3)[C@H]2O)[C@H](O)[C@@H](OC(=O)C2=CC3=CC=CC=C3C=C2)[C@H]1O
InChIKey
InChIKey=KEJWZCGDCBXZIR-JBKGHAIWSA-N
Formula
C34H34O12S
Mass
666.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalenecarboxylic acids and derivatives
- Level 5 Naphthalenecarboxylic acids
-
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
Thioglycosides Thio-linked disaccharides Oxanes Monothioacetals Secondary alcohols Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalenecarboxylic acid - Disaccharide - Glycosyl compound - S-glycosyl compound - Thio-linked disaccharide - Oxane - Monothioacetal - Secondary alcohol - Carboxylic acid ester - Sulfenyl compound - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Primary alcohol - Alcohol - 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