Compound Identification
SMILES
OC(=O)C1=C(OCCS(=O)(=O)C2=CC=C(C=C2)C2=CC(CC#N)=CC=C2)C=CC2=CC=CC=C12
InChIKey
InChIKey=CTBPBDUZVOJERA-UHFFFAOYSA-N
Formula
C27H21NO5S
Mass
471.53
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
Biphenyls and derivatives Benzyl cyanides Benzenesulfonyl compounds Phenol ethers Alkyl aryl ethers Sulfones Nitriles Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalenecarboxylic acid - Biphenyl - Benzyl-cyanide - Benzenesulfonyl group - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Sulfonyl - Sulfone - Carboxylic acid derivative - Carboxylic acid - Ether - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur 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