3-decoxy-2-octan-2-yloxy-5,6-diphenyl-benzenecarbonitrile

Systemtic Name: 3-decoxy-2-octan-2-yloxy-5,6-diphenyl-benzenecarbonitrile Openeye Name: 3-decoxy-2-(1-methylheptoxy)-5,6-diphenyl-benzonitrile CAS Name: 3-decoxy-2-octan-2-yloxy-5,6-diphenylbenzonitrile IUPAC Name: 3-decoxy-2-octan-2-yloxy-5,6-diphenylbenzonitrile Traditional Name: 3-decoxy-2-(1-methylheptoxy)-5,6-diphenyl-benzonitrile Formula: C37H49NO2 MolecularWeight: 539.79046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=C(C(=C1)C2=CC=CC=C2)C3=CC=CC=C3)C#N)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=C(C(=C1)C2=CC=CC=C2)C3=CC=CC=C3)C#N)OC(C)CCCCCC

InChI

InChI=1S/C37H49NO2/c1-4-6-8-10-11-12-13-21-27-39-35-28-33(31-23-17-14-18-24-31)36(32-25-19-15-20-26-32)34(29-38)37(35)40-30(3)22-16-9-7-5-2/h14-15,17-20,23-26,28,30H,4-13,16,21-22,27H2,1-3H3