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2-[2-(4-octoxyphenyl)ethynyl]pentacene

2-[2-(4-octoxyphenyl)ethynyl]pentacene

Systemtic Name:2-[2-(4-octoxyphenyl)ethynyl]pentacene
Openeye Name:2-[2-(4-octoxyphenyl)ethynyl]pentacene
CAS Name:2-[2-(4-octoxyphenyl)ethynyl]pentacene
IUPAC Name:2-[2-(4-octoxyphenyl)ethynyl]pentacene
Traditional Name:2-[2-(4-octoxyphenyl)ethynyl]pentacene
Formula: C38H34O
MolecularWeight: 506.67596
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C#CC2=CC3=CC4=CC5=CC6=CC=CC=C6C=C5C=C4C=C3C=C2


Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C#CC2=CC3=CC4=CC5=CC6=CC=CC=C6C=C5C=C4C=C3C=C2


InChI

InChI=1S/C38H34O/c1-2-3-4-5-6-9-20-39-38-18-15-28(16-19-38)12-13-29-14-17-32-24-36-26-34-22-30-10-7-8-11-31(30)23-35(34)27-37(36)25-33(32)21-29/h7-8,10-11,14-19,21-27H,2-6,9,20H2,1H3


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