[1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: [1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: [2,2,2-trifluoro-1-(propoxymethyl)ethyl] 1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-octoxy-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid (1,1,1-trifluoro-3-propoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-propoxypropan-2-yl) 1-octoxy-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid [2,2,2-trifluoro-1-(propoxymethyl)ethyl] ester Formula: C27H37F3O4 MolecularWeight: 482.57549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC(COCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC(COCCC)C(F)(F)F

InChI

InChI=1S/C27H37F3O4/c1-3-5-6-7-8-12-20-33-26(17-15-23(16-18-26)22-13-10-9-11-14-22)25(31)34-24(27(28,29)30)21-32-19-4-2/h9-11,13-18,23-24H,3-8,12,19-21H2,1-2H3