Compound Identification
SMILES
CC1=C(C=C(C(O)=C1C(O)=O)C(C)(C)C)S(=O)(=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=FFPOJJYGTQKNIP-UHFFFAOYSA-N
Formula
C18H18ClNO7S
Mass
427.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Hydroxybenzoic acid derivatives
-
Level 6
Salicylic acid and derivatives
- Level 7 Salicylic acids
-
Level 6
Salicylic acid and derivatives
-
Level 5
Hydroxybenzoic acid 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
Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
Direct Parent
Salicylic acids
Alternative Parents
Phenylpropanes Benzenesulfonyl compounds Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Meta cresols Toluenes Chlorobenzenes Aryl chlorides Vinylogous acids Sulfones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Salicylic acid - Benzoic acid - Benzenesulfonyl group - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Benzoyl - M-cresol - Chlorobenzene - Halobenzene - Phenol - Toluene - Aryl chloride - Aryl halide - Sulfonyl - Sulfone - Vinylogous acid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.
External Descriptors
Not available