Compound Identification
SMILES
[O-]C(=O)C1=CC2=C(C=C1S([O-])(=O)=O)C1C(C3C2C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl
InChIKey
InChIKey=QCIIYEDWVXHYTF-UHFFFAOYSA-L
Formula
C21H6Cl12O5S
Mass
795.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenanthrenes and derivatives
Alternative Parents
2-sulfobenzoic acids Naphthalenecarboxylic acids Tetralins 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Carboxylic acid salts Vinyl chlorides Carboxylic acids Chloroalkenes Alkyl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Phenanthrene - 2-sulfobenzoic acid - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Sulfobenzoic acid - Tetralin - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organochloride - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic anion - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
External Descriptors
Not available