Compound Identification
SMILES
[Na+].[Na+].[Na+].[Na+].[Na+].CC1=N\C(=C(/C2=C(C)C=C(C)N2B(C#CCOCCOCCOCP([O-])([O-])=O)C#CCOCCOCCOCP([O-])([O-])=O)C2=CC=C(C=C2)C([O-])=O)C(C)=C1
InChIKey
InChIKey=OAHJQZBWDUABSD-BFCBOUAESA-I
Formula
C36H42BN2Na5O14P2
Mass
914.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
Benzoyl derivatives Substituted pyrroles Heteroaromatic compounds Organic phosphonic acids Carboxylic acid salts Ketimines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Dialkyl ethers Organic metalloid salts Organometalloid compounds Hydrocarbon derivatives Organic zwitterions Organophosphorus compounds Organic oxides Organic sodium salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Benzoyl - Substituted pyrrole - Heteroaromatic compound - Organophosphonic acid - Organophosphonic acid derivative - Pyrrole - Carboxylic acid salt - Ketimine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Organic alkali metal salt - Organic metalloid salt - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Organic oxygen compound - Organic sodium salt - Organic zwitterion - Imine - Organic salt - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available