5,6-bis(hex-1-ynyl)isoindole-1,3-dione

Systemtic Name: 5,6-bis(hex-1-ynyl)isoindole-1,3-dione Openeye Name: 5,6-bis(hex-1-ynyl)isoindoline-1,3-dione CAS Name: 5,6-bis(hex-1-ynyl)isoindole-1,3-dione IUPAC Name: 5,6-bis(hex-1-ynyl)isoindole-1,3-dione Traditional Name: 5,6-bis(hex-1-ynyl)isoindoline-1,3-quinone Formula: C20H21NO2 MolecularWeight: 307.38624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC2=C(C=C1C#CCCCC)C(=O)NC2=O

Isomeric SMILES

CCCCC#CC1=CC2=C(C=C1C#CCCCC)C(=O)NC2=O

InChI

InChI=1S/C20H21NO2/c1-3-5-7-9-11-15-13-17-18(20(23)21-19(17)22)14-16(15)12-10-8-6-4-2/h13-14H,3-8H2,1-2H3,(H,21,22,23)