Compound Identification
SMILES
CCC1=CC=CC=C1N1C(=S)NC(=O)C(=CC2=C(C)N(C(C)=C2)C2=CC(=CC(=C2)C(O)=O)C(O)=O)C1=O
InChIKey
InChIKey=MMQRSFFSKMGAMF-UHFFFAOYSA-N
Formula
C27H23N3O6S
Mass
517.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Phthalic acid and derivatives
- Level 6 M-phthalic acid and derivatives
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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
Phenylpyrroles N-phenylthioureas Thiobarbituric acid derivatives Benzoic acids Benzoyl derivatives Diazinanes Heteroaromatic compounds Thioureas Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta_phthalic_acid - 1-phenylpyrrole - N-phenylthiourea - Benzoic acid - Thiobarbiturate - Benzoyl - 1,3-diazinane - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Thiourea - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic 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