1-[6,6-bis(fluoranyl)-4-octoxy-4-pentyl-cyclohex-2-en-1-yl]-4-phenyl-benzene

Systemtic Name: 1-[6,6-bis(fluoranyl)-4-octoxy-4-pentyl-cyclohex-2-en-1-yl]-4-phenyl-benzene Openeye Name: 1-(6,6-difluoro-4-octoxy-4-pentyl-cyclohex-2-en-1-yl)-4-phenyl-benzene CAS Name: 1-(6,6-difluoro-4-octoxy-4-pentyl-1-cyclohex-2-enyl)-4-phenylbenzene IUPAC Name: 1-(6,6-difluoro-4-octoxy-4-pentylcyclohex-2-en-1-yl)-4-phenylbenzene Traditional Name: 1-(4-amyl-6,6-difluoro-4-octoxy-cyclohex-2-en-1-yl)-4-phenyl-benzene Formula: C31H42F2O MolecularWeight: 468.661386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(CC(C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3)(F)F)CCCCC

Isomeric SMILES

CCCCCCCCOC1(CC(C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3)(F)F)CCCCC

InChI

InChI=1S/C31H42F2O/c1-3-5-7-8-9-14-24-34-30(22-13-6-4-2)23-21-29(31(32,33)25-30)28-19-17-27(18-20-28)26-15-11-10-12-16-26/h10-12,15-21,23,29H,3-9,13-14,22,24-25H2,1-2H3