Compound Identification
SMILES
[Fe].[CH-]1[CH-][CH-][CH-][CH-]1.OC(=O)C1=C([C-]2C=CC=C2)C(=CC=C1)N=C=S
InChIKey
InChIKey=DRUHKJAJUAVHBQ-UHFFFAOYSA-N
Formula
C18H13FeNO2S
Mass
363.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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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 Aromatic hydrocarbons Isothiocyanates Organic transition metal salts Carboxylic acids Unsaturated hydrocarbons Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Not available
Substituents
Benzoic acid - Benzoyl - Aromatic hydrocarbon - Isothiocyanate - Carboxylic acid derivative - Carboxylic acid - Organic transition metal salt - Organic nitrogen compound - Organic oxygen compound - Unsaturated hydrocarbon - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Hydrocarbon - Organic anion - Aromatic homomonocyclic 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