2,5-bis(fluoranyl)-4-(7-hexyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzenecarbonitrile

Systemtic Name: 2,5-bis(fluoranyl)-4-(7-hexyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzenecarbonitrile Openeye Name: 2,5-difluoro-4-(7-hexyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzonitrile CAS Name: 2,5-difluoro-4-(7-hexyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzonitrile IUPAC Name: 2,5-difluoro-4-(7-hexyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzonitrile Traditional Name: 2,5-difluoro-4-(7-hexyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzonitrile Formula: C27H31F2N MolecularWeight: 407.538546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC2=C(C1)C=CC3=C2CCC(C3)C4=C(C=C(C(=C4)F)C#N)F

Isomeric SMILES

CCCCCCC1CCC2=C(C1)C=CC3=C2CCC(C3)C4=C(C=C(C(=C4)F)C#N)F

InChI

InChI=1S/C27H31F2N/c1-2-3-4-5-6-18-7-11-23-19(13-18)8-9-20-14-21(10-12-24(20)23)25-16-26(28)22(17-30)15-27(25)29/h8-9,15-16,18,21H,2-7,10-14H2,1H3