1,3-bis[4-(3-ethynyl-5-hexyl-phenyl)buta-1,3-diynyl]-5-hexyl-benzene

Systemtic Name: 1,3-bis[4-(3-ethynyl-5-hexyl-phenyl)buta-1,3-diynyl]-5-hexyl-benzene Openeye Name: 1,3-bis[4-(3-ethynyl-5-hexyl-phenyl)buta-1,3-diynyl]-5-hexyl-benzene CAS Name: 1,3-bis[4-(3-ethynyl-5-hexylphenyl)buta-1,3-diynyl]-5-hexylbenzene IUPAC Name: 1,3-bis[4-(3-ethynyl-5-hexylphenyl)buta-1,3-diynyl]-5-hexylbenzene Traditional Name: 1,3-bis[4-(3-ethynyl-5-hexyl-phenyl)buta-1,3-diynyl]-5-hexyl-benzene Formula: C48H50 MolecularWeight: 626.9106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CC(=C1)C#CC#CC2=CC(=CC(=C2)CCCCCC)C#CC#CC3=CC(=CC(=C3)C#C)CCCCCC)C#C

Isomeric SMILES

CCCCCCC1=CC(=CC(=C1)C#CC#CC2=CC(=CC(=C2)CCCCCC)C#CC#CC3=CC(=CC(=C3)C#C)CCCCCC)C#C

InChI

InChI=1S/C48H50/c1-6-11-14-17-24-42-31-40(9-4)33-44(35-42)27-20-22-29-47-37-46(26-19-16-13-8-3)38-48(39-47)30-23-21-28-45-34-41(10-5)32-43(36-45)25-18-15-12-7-2/h4-5,31-39H,6-8,11-19,24-26H2,1-3H3