Compound Identification
SMILES
[Na+].CC(C)C1=CC=C2C(=CC(CCCCCS(=O)(=O)NC3=CC=C(Cl)C=C3)=C2C=C1)S([O-])(=O)=O
InChIKey
InChIKey=PHRQMESSDBNKLU-UHFFFAOYSA-M
Formula
C24H27ClNNaO5S2
Mass
532.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Hydrocarbons
-
Class
Unsaturated hydrocarbons
-
Subclass
Olefins
-
Level 5
Cyclic olefins
- Level 6 Azulenes
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Level 5
Cyclic olefins
-
Subclass
Olefins
-
Class
Unsaturated hydrocarbons
-
Superclass
Hydrocarbons
Kingdom
Organic compounds
Superclass
Hydrocarbons
Class
Unsaturated hydrocarbons
Subclass
Olefins
Intermediate Tree Nodes
Cyclic olefins
Direct Parent
Azulenes
Alternative Parents
Sulfanilides 1-sulfo,2-unsubstituted aromatic compounds Chlorobenzenes Organosulfonamides Aryl chlorides Organic sulfonamides Organosulfonic acids Aminosulfonyl compounds Organic metal halides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic sodium salts Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Sulfanilide - Azulene - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Halobenzene - Chlorobenzene - Organic sulfonic acid amide - Organosulfonic acid amide - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic metal halide - Organic alkali metal salt - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as azulenes. These are polycyclic aromatic compounds containing the azulene skeleton, which consists of the cyclopentadiene ring fused to a cycloheptadiene ring.
External Descriptors
Not available