4-[8-[1-[3,5-bis(bromanyl)phenyl]but-3-enoxymethyl]pyren-1-yl]benzenecarbonitrile

Systemtic Name: 4-[8-[1-[3,5-bis(bromanyl)phenyl]but-3-enoxymethyl]pyren-1-yl]benzenecarbonitrile Openeye Name: 4-[8-[1-(3,5-dibromophenyl)but-3-enoxymethyl]pyren-1-yl]benzonitrile CAS Name: 4-[8-[1-(3,5-dibromophenyl)but-3-enoxymethyl]-1-pyrenyl]benzonitrile IUPAC Name: 4-[8-[1-(3,5-dibromophenyl)but-3-enoxymethyl]pyren-1-yl]benzonitrile Traditional Name: 4-[8-[1-(3,5-dibromophenyl)but-3-enoxymethyl]pyren-1-yl]benzonitrile Formula: C34H23Br2NO MolecularWeight: 621.36052

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1=CC(=CC(=C1)Br)Br)OCC2=C3C=CC4=C(C=CC5=C4C3=C(C=C5)C=C2)C6=CC=C(C=C6)C#N

Isomeric SMILES

C=CCC(C1=CC(=CC(=C1)Br)Br)OCC2=C3C=CC4=C(C=CC5=C4C3=C(C=C5)C=C2)C6=CC=C(C=C6)C#N

InChI

InChI=1S/C34H23Br2NO/c1-2-3-32(26-16-27(35)18-28(36)17-26)38-20-25-11-10-23-8-9-24-12-13-29(22-6-4-21(19-37)5-7-22)31-15-14-30(25)33(23)34(24)31/h2,4-18,32H,1,3,20H2