[1-oxidanylidene-9-phenyl-1-[8,8,8-tris(fluoranyl)octoxy]nonan-5-yl] 4-phenylbenzoate

Systemtic Name: [1-oxidanylidene-9-phenyl-1-[8,8,8-tris(fluoranyl)octoxy]nonan-5-yl] 4-phenylbenzoate Openeye Name: [5-oxo-1-(4-phenylbutyl)-5-(8,8,8-trifluorooctoxy)pentyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [1-oxo-9-phenyl-1-(8,8,8-trifluorooctoxy)nonan-5-yl] ester IUPAC Name: [1-oxo-9-phenyl-1-(8,8,8-trifluorooctoxy)nonan-5-yl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [5-keto-1-(4-phenylbutyl)-5-(8,8,8-trifluorooctoxy)pentyl] ester Formula: C36H43F3O4 MolecularWeight: 596.71943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(CCCC(=O)OCCCCCCCC(F)(F)F)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(CCCC(=O)OCCCCCCCC(F)(F)F)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C36H43F3O4/c37-36(38,39)27-12-2-1-3-13-28-42-34(40)22-14-21-33(20-11-10-17-29-15-6-4-7-16-29)43-35(41)32-25-23-31(24-26-32)30-18-8-5-9-19-30/h4-9,15-16,18-19,23-26,33H,1-3,10-14,17,20-22,27-28H2