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

Systemtic Name: [1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: [2,2,2-trifluoro-1-(propoxymethyl)ethyl] 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-heptyl-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-heptyl-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid [2,2,2-trifluoro-1-(propoxymethyl)ethyl] ester Formula: C26H35F3O3 MolecularWeight: 452.54951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC(COCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC(COCCC)C(F)(F)F

InChI

InChI=1S/C26H35F3O3/c1-3-5-6-7-11-16-25(17-14-22(15-18-25)21-12-9-8-10-13-21)24(30)32-23(26(27,28)29)20-31-19-4-2/h8-10,12-15,17-18,22-23H,3-7,11,16,19-20H2,1-2H3