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5,14-dimethoxy-6,13-bis(2-phenylethynyl)pentacene

5,14-dimethoxy-6,13-bis(2-phenylethynyl)pentacene

Systemtic Name:5,14-dimethoxy-6,13-bis(2-phenylethynyl)pentacene
Openeye Name:5,14-dimethoxy-6,13-bis(2-phenylethynyl)pentacene
CAS Name:5,14-dimethoxy-6,13-bis(2-phenylethynyl)pentacene
IUPAC Name:5,14-dimethoxy-6,13-bis(2-phenylethynyl)pentacene
Traditional Name:5,14-dimethoxy-6,13-bis(2-phenylethynyl)pentacene
Formula: C40H26O2
MolecularWeight: 538.63324
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=CC=CC2=C(C3=C(C4=CC5=CC=CC=C5C=C4C(=C31)C#CC6=CC=CC=C6)C#CC7=CC=CC=C7)OC


Isomeric SMILES

COC1=C2C=CC=CC2=C(C3=C(C4=CC5=CC=CC=C5C=C4C(=C31)C#CC6=CC=CC=C6)C#CC7=CC=CC=C7)OC


InChI

InChI=1S/C40H26O2/c1-41-39-33-19-11-12-20-34(33)40(42-2)38-32(24-22-28-15-7-4-8-16-28)36-26-30-18-10-9-17-29(30)25-35(36)31(37(38)39)23-21-27-13-5-3-6-14-27/h3-20,25-26H,1-2H3


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