Compound Identification
SMILES
COC1=C(N\N=C2\C(=O)C3=C(C=C(NC(=O)NC4=CC5=C(C=C4)C(=O)\C(=N/NC4=C(OC)C=C(C=C4)C(O)=O)C(=C5)S(O)(=O)=O)C=C3)C=C2S(O)(=O)=O)C=CC(=C1)C(O)=O
InChIKey
InChIKey=OTVBRLCSLZKGAQ-SDXBCKLKSA-N
Formula
C37H28N6O15S2
Mass
860.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Methoxybenzoic acids and derivatives
Direct Parent
M-methoxybenzoic acids and derivatives
Alternative Parents
Naphthalenes Benzoic acids Methoxyanilines Anisoles Aryl ketones Benzoyl derivatives Methoxybenzenes Phenylhydrazines Phenoxy compounds Alkyl aryl ethers Sulfonyls Organosulfonic acids Ureas Hydrazones Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
M-methoxybenzoic acid or derivatives - Naphthalene - Methoxyaniline - Benzoic acid - Phenoxy compound - Phenol ether - Phenylhydrazine - Aryl ketone - Anisole - Methoxybenzene - Benzoyl - Alkyl aryl ether - Organosulfonic acid - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Urea - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Hydrazone - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available