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

Systemtic Name: [4-(4-octylphenyl)phenyl] 3,3,3-tris(fluoranyl)-2-heptoxy-propanoate Openeye Name: [4-(4-octylphenyl)phenyl] 3,3,3-trifluoro-2-heptoxy-propanoate CAS Name: 3,3,3-trifluoro-2-heptoxypropanoic acid [4-(4-octylphenyl)phenyl] ester IUPAC Name: [4-(4-octylphenyl)phenyl] 3,3,3-trifluoro-2-heptoxypropanoate Traditional Name: 3,3,3-trifluoro-2-heptoxy-propionic acid [4-(4-octylphenyl)phenyl] ester Formula: C30H41F3O3 MolecularWeight: 506.63995

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C(F)(F)F)OCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C(F)(F)F)OCCCCCCC

InChI

InChI=1S/C30H41F3O3/c1-3-5-7-9-10-12-14-24-15-17-25(18-16-24)26-19-21-27(22-20-26)36-29(34)28(30(31,32)33)35-23-13-11-8-6-4-2/h15-22,28H,3-14,23H2,1-2H3