Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenanthrenes and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenanthrenes and derivatives

Alternative Parents

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

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