6,13-bis(3,3-dimethylbut-1-ynyl)-5,14-dimethoxy-pentacene

Systemtic Name: 6,13-bis(3,3-dimethylbut-1-ynyl)-5,14-dimethoxy-pentacene Openeye Name: 6,13-bis(3,3-dimethylbut-1-ynyl)-5,14-dimethoxy-pentacene CAS Name: 6,13-bis(3,3-dimethylbut-1-ynyl)-5,14-dimethoxypentacene IUPAC Name: 6,13-bis(3,3-dimethylbut-1-ynyl)-5,14-dimethoxypentacene Traditional Name: 6,13-bis(3,3-dimethylbut-1-ynyl)-5,14-dimethoxy-pentacene Formula: C36H34O2 MolecularWeight: 498.65396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=C2C(=C(C3=CC4=CC=CC=C4C=C31)C#CC(C)(C)C)C(=C5C=CC=CC5=C2OC)OC

Isomeric SMILES

CC(C)(C)C#CC1=C2C(=C(C3=CC4=CC=CC=C4C=C31)C#CC(C)(C)C)C(=C5C=CC=CC5=C2OC)OC

InChI

InChI=1S/C36H34O2/c1-35(2,3)19-17-25-29-21-23-13-9-10-14-24(23)22-30(29)26(18-20-36(4,5)6)32-31(25)33(37-7)27-15-11-12-16-28(27)34(32)38-8/h9-16,21-22H,1-8H3