[4-(4-octoxyphenyl)phenyl] 3,3,3-tris(fluoranyl)-2-pentoxy-propanoate

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3,3,3-tris(fluoranyl)-2-pentoxy-propanoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3,3,3-trifluoro-2-pentoxy-propanoate CAS Name: 3,3,3-trifluoro-2-pentoxypropanoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3,3,3-trifluoro-2-pentoxypropanoate Traditional Name: 2-amoxy-3,3,3-trifluoro-propionic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C28H37F3O4 MolecularWeight: 494.58619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37F3O4/c1-3-5-7-8-9-11-20-33-24-16-12-22(13-17-24)23-14-18-25(19-15-23)35-27(32)26(28(29,30)31)34-21-10-6-4-2/h12-19,26H,3-11,20-21H2,1-2H3