Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(C(O)=O)(C(O)=O)C12C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C(C5=C7%11)C5=C7C%13=C%11C%13=C%14C%15=C(C%10=C%12%13)C%10=C9C9(C8=C8C6=C3C3(F)C8(F)C6(F)C8=C%12C%13=C%16C%17=C8C(F)(C%10(F)C%15(F)C%17(F)C8(F)C%16(F)C%10(F)C(C7=C(C1=C45)C%10(F)C%13(F)C2(F)C3%12F)=C%11C%148C(C(O)=O)(C(O)=O)C(=O)OC)C96F)C(C(O)=O)(C(O)=O)C(=O)OC

InChIKey

InChIKey=XHDNSBNERSCXMP-UHFFFAOYSA-N

Formula

C75H15F15O18

Mass

1488.903

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenanthrenes and derivatives

Subclass

Triphenylenes

Intermediate Tree Nodes

Not available

Direct Parent

Triphenylenes

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Chrysene - 1-aryltetralin lignan - Triphenylene - Neolignan skeleton - Sesquiterpenoid - Fluorene - Naphthalene - Tetralin - Indane - Halogenated fatty acid - Fatty acyl - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organohalogen compound - Organofluoride - Carbonyl group - Organooxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as triphenylenes. These are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.

External Descriptors

Not available

Previous Back Next