[4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]phenyl] 4-methylhexanoate

Systemtic Name: [4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]phenyl] 4-methylhexanoate Openeye Name: [4-(2,3-difluoro-4-octoxy-phenyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [4-(2,3-difluoro-4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(2,3-difluoro-4-octoxyphenyl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [4-(2,3-difluoro-4-octoxy-phenyl)phenyl] ester Formula: C27H36F2O3 MolecularWeight: 446.569746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36F2O3/c1-4-6-7-8-9-10-19-31-24-17-16-23(26(28)27(24)29)21-12-14-22(15-13-21)32-25(30)18-11-20(3)5-2/h12-17,20H,4-11,18-19H2,1-3H3