4-[4-(5-decyl-4-methyl-1,3-dioxan-2-yl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(5-decyl-4-methyl-1,3-dioxan-2-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(5-decyl-4-methyl-1,3-dioxan-2-yl)phenyl]benzonitrile CAS Name: 4-[4-(5-decyl-4-methyl-1,3-dioxan-2-yl)phenyl]benzonitrile IUPAC Name: 4-[4-(5-decyl-4-methyl-1,3-dioxan-2-yl)phenyl]benzonitrile Traditional Name: 4-[4-(5-decyl-4-methyl-1,3-dioxan-2-yl)phenyl]benzonitrile Formula: C28H37NO2 MolecularWeight: 419.59888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1COC(OC1C)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCCC1COC(OC1C)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C28H37NO2/c1-3-4-5-6-7-8-9-10-11-27-21-30-28(31-22(27)2)26-18-16-25(17-19-26)24-14-12-23(20-29)13-15-24/h12-19,22,27-28H,3-11,21H2,1-2H3