1,4-bis[4,4-bis(bromanyl)-3-(4-tert-butylphenyl)but-3-en-1-ynyl]-2,5-dioctoxy-benzene

Systemtic Name: 1,4-bis[4,4-bis(bromanyl)-3-(4-tert-butylphenyl)but-3-en-1-ynyl]-2,5-dioctoxy-benzene Openeye Name: 1,4-bis[4,4-dibromo-3-(4-tert-butylphenyl)but-3-en-1-ynyl]-2,5-dioctoxy-benzene CAS Name: 1,4-bis[4,4-dibromo-3-(4-tert-butylphenyl)but-3-en-1-ynyl]-2,5-dioctoxybenzene IUPAC Name: 1,4-bis[4,4-dibromo-3-(4-tert-butylphenyl)but-3-en-1-ynyl]-2,5-dioctoxybenzene Traditional Name: 1,4-bis[4,4-dibromo-3-(4-tert-butylphenyl)but-3-en-1-ynyl]-2,5-dioctoxy-benzene Formula: C50H62Br4O2 MolecularWeight: 1014.64208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1C#CC(=C(Br)Br)C2=CC=C(C=C2)C(C)(C)C)OCCCCCCCC)C#CC(=C(Br)Br)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1C#CC(=C(Br)Br)C2=CC=C(C=C2)C(C)(C)C)OCCCCCCCC)C#CC(=C(Br)Br)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C50H62Br4O2/c1-9-11-13-15-17-19-33-55-45-35-40(26-32-44(48(53)54)38-23-29-42(30-24-38)50(6,7)8)46(56-34-20-18-16-14-12-10-2)36-39(45)25-31-43(47(51)52)37-21-27-41(28-22-37)49(3,4)5/h21-24,27-30,35-36H,9-20,33-34H2,1-8H3