9,10-bis[2-(4-hexylphenyl)ethynyl]anthracene

Systemtic Name: 9,10-bis[2-(4-hexylphenyl)ethynyl]anthracene Openeye Name: 9,10-bis[2-(4-hexylphenyl)ethynyl]anthracene CAS Name: 9,10-bis[2-(4-hexylphenyl)ethynyl]anthracene IUPAC Name: 9,10-bis[2-(4-hexylphenyl)ethynyl]anthracene Traditional Name: 9,10-bis[2-(4-hexylphenyl)ethynyl]anthracene Formula: C42H42 MolecularWeight: 546.78288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=C(C=C5)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=C(C=C5)CCCCCC

InChI

InChI=1S/C42H42/c1-3-5-7-9-15-33-21-25-35(26-22-33)29-31-41-37-17-11-13-19-39(37)42(40-20-14-12-18-38(40)41)32-30-36-27-23-34(24-28-36)16-10-8-6-4-2/h11-14,17-28H,3-10,15-16H2,1-2H3