1-[[3-bromanyl-5-(pyren-1-yloxymethyl)phenyl]methoxy]pyrene

Systemtic Name: 1-[[3-bromanyl-5-(pyren-1-yloxymethyl)phenyl]methoxy]pyrene Openeye Name: 1-[[3-bromo-5-(pyren-1-yloxymethyl)phenyl]methoxy]pyrene CAS Name: 1-[[3-bromo-5-(1-pyrenyloxymethyl)phenyl]methoxy]pyrene IUPAC Name: 1-[[3-bromo-5-(pyren-1-yloxymethyl)phenyl]methoxy]pyrene Traditional Name: 1-[3-bromo-5-(pyren-1-yloxymethyl)benzyl]oxypyrene Formula: C40H25BrO2 MolecularWeight: 617.5293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)OCC5=CC(=CC(=C5)Br)COC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)OCC5=CC(=CC(=C5)Br)COC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

InChI

InChI=1S/C40H25BrO2/c41-32-20-24(22-42-35-17-13-30-9-7-26-3-1-5-28-11-15-33(35)39(30)37(26)28)19-25(21-32)23-43-36-18-14-31-10-8-27-4-2-6-29-12-16-34(36)40(31)38(27)29/h1-21H,22-23H2