Compound Identification
SMILES
COC1=C2C(NC=C2C(=O)C(=O)N2CCN(CC2)C(=O)C2=CC=CC=C2)=C(C=C1)C1=CC=C(CNC(=O)COCCOCCOCCOCCOCCON2C=C(COCOCOCONC3=C(C=C(C=C3)C(O)=O)C(O)=O)N=N2)O1
InChIKey
InChIKey=QBRHPUVYTWIRGJ-UHFFFAOYSA-N
Formula
C53H62N8O20
Mass
1131.115
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
- Level 6 M-phthalic acid and derivatives
-
Level 5
Phthalic acid and derivatives
-
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
Phthalic acid and derivatives
Direct Parent
M-phthalic acid and derivatives
Alternative Parents
Benzamides Benzoic acids Indoles 1-hydroxylamino, 2-unsubstituted benzenoids Anisoles Aryl ketones Benzoyl derivatives N-phenylhydroxylamines Alkyl aryl ethers Substituted pyrroles Piperazines Dicarboxylic acids and derivatives Vinylogous amides Triazoles Tertiary carboxylic acid amides Furans Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acids Oxacyclic compounds Azacyclic compounds Dialkyl ethers N-organohydroxylamines Acetals Organic oxides Organopnictogen compounds Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Meta_phthalic_acid - Indole or derivatives - Benzamide - Benzoic acid - Indole - N-phenylhydroxylamine - 1-hydroxylamino, 2-unsubstituted benzenoid - Anisole - Benzoyl - Aryl ketone - Alkyl aryl ether - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Substituted pyrrole - Azole - Heteroaromatic compound - Furan - Tertiary carboxylic acid amide - 1,2,3-triazole - Pyrrole - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Ketone - Acetal - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - N-organohydroxylamine - Organoheterocyclic compound - Ether - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aldehyde - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
External Descriptors
Not available