Structure Information
Structure

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

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 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

Previous Back Next