Compound Identification
SMILES
[Na+].[Na+].[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=NRPUAYGDGHHNPJ-UHFFFAOYSA-L
Formula
C21H6Cl12Na2O5S
Mass
841.71
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 Organic metal halides Hydrocarbon derivatives Alkyl chlorides Organooxygen compounds Organic sodium salts Organochlorides Organic oxides Organic cations
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 - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carboxylic acid salt - Vinyl chloride - Chloroalkene - Haloalkene - Vinyl halide - Organic metal halide - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Organic salt - Alkyl halide - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic sodium salt - Organic oxygen compound - Alkyl chloride - Organic cation - 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