Compound Identification
SMILES
OC(=O)C1=CC2=C(C=C1S(O)(=O)=O)[C@@H]1[C@@H]([C@H]3[C@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl
InChIKey
InChIKey=QCIIYEDWVXHYTF-JBLQUAEGSA-N
Formula
C21H8Cl12O5S
Mass
797.75
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
Naphthalenecarboxylic acids 2-sulfobenzoic acids Tetralins 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Vinyl chlorides Chloroalkenes Carboxylic acids Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Phenanthrene - 2-sulfobenzoic acid - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Sulfobenzoic acid - Tetralin - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Chloroalkene - Haloalkene - Vinyl halide - Carboxylic acid derivative - Carboxylic acid - Vinyl chloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Organic oxide - Organochloride - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - 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