4-[4-[12-(2,6-dinitrophenoxy)dodecoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[12-(2,6-dinitrophenoxy)dodecoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[12-(2,6-dinitrophenoxy)dodecoxy]phenyl]benzonitrile CAS Name: 4-[4-[12-(2,6-dinitrophenoxy)dodecoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[12-(2,6-dinitrophenoxy)dodecoxy]phenyl]benzonitrile Traditional Name: 4-[4-[12-(2,6-dinitrophenoxy)dodecoxy]phenyl]benzonitrile Formula: C31H35N3O6 MolecularWeight: 545.6261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])OCCCCCCCCCCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])OCCCCCCCCCCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C31H35N3O6/c32-24-25-14-16-26(17-15-25)27-18-20-28(21-19-27)39-22-9-7-5-3-1-2-4-6-8-10-23-40-31-29(33(35)36)12-11-13-30(31)34(37)38/h11-21H,1-10,22-23H2