[4-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]phenyl] 3-fluoranyl-2-methyl-hexanoate

Systemtic Name: [4-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]phenyl] 3-fluoranyl-2-methyl-hexanoate Openeye Name: [4-(2,3-difluoro-4-heptoxy-phenyl)phenyl] 3-fluoro-2-methyl-hexanoate CAS Name: 3-fluoro-2-methylhexanoic acid [4-(2,3-difluoro-4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(2,3-difluoro-4-heptoxyphenyl)phenyl] 3-fluoro-2-methylhexanoate Traditional Name: 3-fluoro-2-methyl-hexanoic acid [4-(2,3-difluoro-4-heptoxy-phenyl)phenyl] ester Formula: C26H33F3O3 MolecularWeight: 450.53363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CCC)F)F)F

Isomeric SMILES

CCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CCC)F)F)F

InChI

InChI=1S/C26H33F3O3/c1-4-6-7-8-9-17-31-23-16-15-21(24(28)25(23)29)19-11-13-20(14-12-19)32-26(30)18(3)22(27)10-5-2/h11-16,18,22H,4-10,17H2,1-3H3