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

Systemtic Name: [8-oxidanylidene-1-phenyl-8-[8,8,8-tris(fluoranyl)octoxy]octan-4-yl] 4-phenylbenzoate Openeye Name: [5-oxo-1-(3-phenylpropyl)-5-(8,8,8-trifluorooctoxy)pentyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [8-oxo-1-phenyl-8-(8,8,8-trifluorooctoxy)octan-4-yl] ester IUPAC Name: [8-oxo-1-phenyl-8-(8,8,8-trifluorooctoxy)octan-4-yl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [5-keto-1-(3-phenylpropyl)-5-(8,8,8-trifluorooctoxy)pentyl] ester Formula: C35H41F3O4 MolecularWeight: 582.69285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H41F3O4/c36-35(37,38)26-10-2-1-3-11-27-41-33(39)21-13-20-32(19-12-16-28-14-6-4-7-15-28)42-34(40)31-24-22-30(23-25-31)29-17-8-5-9-18-29/h4-9,14-15,17-18,22-25,32H,1-3,10-13,16,19-21,26-27H2