1,4-bis[4-(4-tert-butylphenyl)buta-1,3-diynyl]-2,5-dioctoxy-benzene

Systemtic Name: 1,4-bis[4-(4-tert-butylphenyl)buta-1,3-diynyl]-2,5-dioctoxy-benzene Openeye Name: 1,4-bis[4-(4-tert-butylphenyl)buta-1,3-diynyl]-2,5-dioctoxy-benzene CAS Name: 1,4-bis[4-(4-tert-butylphenyl)buta-1,3-diynyl]-2,5-dioctoxybenzene IUPAC Name: 1,4-bis[4-(4-tert-butylphenyl)buta-1,3-diynyl]-2,5-dioctoxybenzene Traditional Name: 1,4-bis[4-(4-tert-butylphenyl)buta-1,3-diynyl]-2,5-dioctoxy-benzene Formula: C50H62O2 MolecularWeight: 695.02608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1C#CC#CC2=CC=C(C=C2)C(C)(C)C)OCCCCCCCC)C#CC#CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1C#CC#CC2=CC=C(C=C2)C(C)(C)C)OCCCCCCCC)C#CC#CC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C50H62O2/c1-9-11-13-15-17-23-37-51-47-39-44(28-22-20-26-42-31-35-46(36-32-42)50(6,7)8)48(52-38-24-18-16-14-12-10-2)40-43(47)27-21-19-25-41-29-33-45(34-30-41)49(3,4)5/h29-36,39-40H,9-18,23-24,37-38H2,1-8H3