1-bromanyl-4-(2,5-dimethoxyphenyl)-2,5-bis[2-(2,6-dimethyl-4-octoxy-phenyl)ethynyl]benzene

Systemtic Name: 1-bromanyl-4-(2,5-dimethoxyphenyl)-2,5-bis[2-(2,6-dimethyl-4-octoxy-phenyl)ethynyl]benzene Openeye Name: 1-bromo-4-(2,5-dimethoxyphenyl)-2,5-bis[2-(2,6-dimethyl-4-octoxy-phenyl)ethynyl]benzene CAS Name: 1-bromo-4-(2,5-dimethoxyphenyl)-2,5-bis[2-(2,6-dimethyl-4-octoxyphenyl)ethynyl]benzene IUPAC Name: 1-bromo-4-(2,5-dimethoxyphenyl)-2,5-bis[2-(2,6-dimethyl-4-octoxyphenyl)ethynyl]benzene Traditional Name: 1-bromo-4-(2,5-dimethoxyphenyl)-2,5-bis[2-(2,6-dimethyl-4-octoxy-phenyl)ethynyl]benzene Formula: C50H61BrO4 MolecularWeight: 805.92094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C(=C1)C)C#CC2=CC(=C(C=C2Br)C#CC3=C(C=C(C=C3C)OCCCCCCCC)C)C4=C(C=CC(=C4)OC)OC)C

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C(=C1)C)C#CC2=CC(=C(C=C2Br)C#CC3=C(C=C(C=C3C)OCCCCCCCC)C)C4=C(C=CC(=C4)OC)OC)C

InChI

InChI=1S/C50H61BrO4/c1-9-11-13-15-17-19-27-54-43-29-36(3)45(37(4)30-43)24-21-40-34-49(51)41(33-47(40)48-35-42(52-7)23-26-50(48)53-8)22-25-46-38(5)31-44(32-39(46)6)55-28-20-18-16-14-12-10-2/h23,26,29-35H,9-20,27-28H2,1-8H3