2,3,5,6-tetrakis[2,6-bis(bromomethyl)phenyl]benzenecarbonitrile

Systemtic Name: 2,3,5,6-tetrakis[2,6-bis(bromomethyl)phenyl]benzenecarbonitrile Openeye Name: 2,3,5,6-tetrakis[2,6-bis(bromomethyl)phenyl]benzonitrile CAS Name: 2,3,5,6-tetrakis[2,6-bis(bromomethyl)phenyl]benzonitrile IUPAC Name: 2,3,5,6-tetrakis[2,6-bis(bromomethyl)phenyl]benzonitrile Traditional Name: 2,3,5,6-tetrakis[2,6-bis(bromomethyl)phenyl]benzonitrile Formula: C39H29Br8N MolecularWeight: 1150.88626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CBr)C2=CC(=C(C(=C2C3=C(C=CC=C3CBr)CBr)C#N)C4=C(C=CC=C4CBr)CBr)C5=C(C=CC=C5CBr)CBr)CBr

Isomeric SMILES

C1=CC(=C(C(=C1)CBr)C2=CC(=C(C(=C2C3=C(C=CC=C3CBr)CBr)C#N)C4=C(C=CC=C4CBr)CBr)C5=C(C=CC=C5CBr)CBr)CBr

InChI

InChI=1S/C39H29Br8N/c40-14-23-5-1-6-24(15-41)34(23)31-13-32(35-25(16-42)7-2-8-26(35)17-43)39(37-29(20-46)11-4-12-30(37)21-47)33(22-48)38(31)36-27(18-44)9-3-10-28(36)19-45/h1-13H,14-21H2