4-[5-(4-decylcyclohexyl)-1,3-dioxan-2-yl]-2,6-bis(fluoranyl)benzenecarbonitrile

Systemtic Name: 4-[5-(4-decylcyclohexyl)-1,3-dioxan-2-yl]-2,6-bis(fluoranyl)benzenecarbonitrile Openeye Name: 4-[5-(4-decylcyclohexyl)-1,3-dioxan-2-yl]-2,6-difluoro-benzonitrile CAS Name: 4-[5-(4-decylcyclohexyl)-1,3-dioxan-2-yl]-2,6-difluorobenzonitrile IUPAC Name: 4-[5-(4-decylcyclohexyl)-1,3-dioxan-2-yl]-2,6-difluorobenzonitrile Traditional Name: 4-[5-(4-decylcyclohexyl)-1,3-dioxan-2-yl]-2,6-difluoro-benzonitrile Formula: C27H39F2NO2 MolecularWeight: 447.600866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1CCC(CC1)C2COC(OC2)C3=CC(=C(C(=C3)F)C#N)F

Isomeric SMILES

CCCCCCCCCCC1CCC(CC1)C2COC(OC2)C3=CC(=C(C(=C3)F)C#N)F

InChI

InChI=1S/C27H39F2NO2/c1-2-3-4-5-6-7-8-9-10-20-11-13-21(14-12-20)23-18-31-27(32-19-23)22-15-25(28)24(17-30)26(29)16-22/h15-16,20-21,23,27H,2-14,18-19H2,1H3