2,3-bis(bromanyl)-1,4-bis(4,4,4-triphenylbut-1-ynyl)benzene

Systemtic Name: 2,3-bis(bromanyl)-1,4-bis(4,4,4-triphenylbut-1-ynyl)benzene Openeye Name: 2,3-dibromo-1,4-bis(4,4,4-triphenylbut-1-ynyl)benzene CAS Name: 2,3-dibromo-1,4-bis(4,4,4-triphenylbut-1-ynyl)benzene IUPAC Name: 2,3-dibromo-1,4-bis(4,4,4-triphenylbut-1-ynyl)benzene Traditional Name: 2,3-dibromo-1,4-bis(4,4,4-triphenylbut-1-ynyl)benzene Formula: C50H36Br2 MolecularWeight: 796.62884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC#CC2=C(C(=C(C=C2)C#CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)Br)Br)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C(CC#CC2=C(C(=C(C=C2)C#CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)Br)Br)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C50H36Br2/c51-47-39(21-19-37-49(41-23-7-1-8-24-41,42-25-9-2-10-26-42)43-27-11-3-12-28-43)35-36-40(48(47)52)22-20-38-50(44-29-13-4-14-30-44,45-31-15-5-16-32-45)46-33-17-6-18-34-46/h1-18,23-36H,37-38H2