4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-heptyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-heptyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-heptyl-cyclohexanecarbonitrile CAS Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-heptyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-heptylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-heptyl-cyclohexanecarbonitrile Formula: C36H53NO MolecularWeight: 515.81212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC(C)CCCC(C)C)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC(C)CCCC(C)C)C#N

InChI

InChI=1S/C36H53NO/c1-5-6-7-8-9-24-36(28-37)25-21-34(22-26-36)32-15-13-31(14-16-32)33-17-19-35(20-18-33)38-27-23-30(4)12-10-11-29(2)3/h13-20,29-30,34H,5-12,21-27H2,1-4H3