[4-(4-heptylphenyl)phenyl] 3,3,3-tris(fluoranyl)-2-heptoxy-propanoate

Systemtic Name: [4-(4-heptylphenyl)phenyl] 3,3,3-tris(fluoranyl)-2-heptoxy-propanoate Openeye Name: [4-(4-heptylphenyl)phenyl] 3,3,3-trifluoro-2-heptoxy-propanoate CAS Name: 3,3,3-trifluoro-2-heptoxypropanoic acid [4-(4-heptylphenyl)phenyl] ester IUPAC Name: [4-(4-heptylphenyl)phenyl] 3,3,3-trifluoro-2-heptoxypropanoate Traditional Name: 3,3,3-trifluoro-2-heptoxy-propionic acid [4-(4-heptylphenyl)phenyl] ester Formula: C29H39F3O3 MolecularWeight: 492.61337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39F3O3/c1-3-5-7-9-11-13-23-14-16-24(17-15-23)25-18-20-26(21-19-25)35-28(33)27(29(30,31)32)34-22-12-10-8-6-4-2/h14-21,27H,3-13,22H2,1-2H3