1-bromanyl-4-[2-(4-ethynyl-2,5-dihexyl-phenyl)ethynyl]-2,5-dihexyl-benzene

Systemtic Name: 1-bromanyl-4-[2-(4-ethynyl-2,5-dihexyl-phenyl)ethynyl]-2,5-dihexyl-benzene Openeye Name: 1-bromo-4-[2-(4-ethynyl-2,5-dihexyl-phenyl)ethynyl]-2,5-dihexyl-benzene CAS Name: 1-bromo-4-[2-(4-ethynyl-2,5-dihexylphenyl)ethynyl]-2,5-dihexylbenzene IUPAC Name: 1-bromo-4-[2-(4-ethynyl-2,5-dihexylphenyl)ethynyl]-2,5-dihexylbenzene Traditional Name: 1-bromo-4-[2-(4-ethynyl-2,5-dihexyl-phenyl)ethynyl]-2,5-dihexyl-benzene Formula: C40H57Br MolecularWeight: 617.78458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1C#C)CCCCCC)C#CC2=CC(=C(C=C2CCCCCC)Br)CCCCCC

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1C#C)CCCCCC)C#CC2=CC(=C(C=C2CCCCCC)Br)CCCCCC

InChI

InChI=1S/C40H57Br/c1-6-11-15-19-23-34-30-37(35(29-33(34)10-5)24-20-16-12-7-2)27-28-38-31-39(26-22-18-14-9-4)40(41)32-36(38)25-21-17-13-8-3/h5,29-32H,6-9,11-26H2,1-4H3