Compound Identification
SMILES
COC(=O)C1=C(SC(S1)=C1SC2=C(CC34C5=C6C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%18C%19=C(C%20=C%21C%22=C%23C(=C8C8=C%10C%10=C%11C%11=C%13C%13=C%15C%17=C%15C%17=C%24C(C%20=C%22C%20=C%24C(C%11=C%13%17)=C%10C%20%10CC%11=C(CC%238%10)SC(S%11)=C8SC(C(=O)OC)=C(S8)C(=O)OC)=C%19%15)C6=C3%21)C4(C2)C%18=C2C%16=C3C%14=C%12C9=C7C3=C52)S1)C(=O)OC
InChIKey
InChIKey=OMZOUUYNAFBMSA-UHFFFAOYSA-N
Formula
C84H20O8S8
Mass
1413.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Triphenylenes
-
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 Tetracarboxylic acids and derivatives Naphthalenes Vinylogous thioesters Methyl esters Enoate esters 1,3-dithioles Thioenol ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chrysene - Triphenylene - Tetracarboxylic acid or derivatives - Naphthalene - Vinylogous thioester - Methyl ester - 1,3-dithiole - Dithiole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Thioenolether - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic 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