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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Triphenylenes
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Class
Phenanthrenes and derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Triphenylenes
Intermediate Tree Nodes
Not available
Direct Parent
Triphenylenes
Alternative Parents
Chrysenes Aryltetralin lignans Sesquiterpenoids Fluorenes Tetralins Naphthalenes Indanes Halogenated fatty acids Methyl esters Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
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