Compound Identification
SMILES
COC1=CC(C)=C2C=CC(O)=C(C(=O)O[C@@H]3C=C4C#C[C@@]5(O[C@@H]5C#C\C=C4\[C@H]3O)C3COC(=O)O3)C2=C1
InChIKey
InChIKey=AFVIOXHQBSKNGE-RTSZBDLXSA-N
Formula
C28H20O9
Mass
500.459
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
Naphthols and derivatives Salicylic acid and derivatives Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Ynones Carbonic acid diesters 1,3-dioxolanes Vinylogous acids Carboxylic acid esters Secondary alcohols Epoxides Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalenecarboxylic acid or derivatives - 2-naphthol - Salicylic acid or derivatives - Anisole - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Carbonic acid diester - Ynone - Meta-dioxolane - Vinylogous acid - Carboxylic acid ester - Secondary alcohol - Carbonic acid derivative - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Organooxygen compound - 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