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

Systemtic Name: [2,3-bis(fluoranyl)-4-phenyl-phenyl] 4-methyl-4-octoxy-hexanoate Openeye Name: (2,3-difluoro-4-phenyl-phenyl) 4-methyl-4-octoxy-hexanoate CAS Name: 4-methyl-4-octoxyhexanoic acid (2,3-difluoro-4-phenylphenyl) ester IUPAC Name: (2,3-difluoro-4-phenylphenyl) 4-methyl-4-octoxyhexanoate Traditional Name: 4-methyl-4-octoxy-hexanoic acid (2,3-difluoro-4-phenyl-phenyl) ester Formula: C27H36F2O3 MolecularWeight: 446.569746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(C)(CC)CCC(=O)OC1=C(C(=C(C=C1)C2=CC=CC=C2)F)F

Isomeric SMILES

CCCCCCCCOC(C)(CC)CCC(=O)OC1=C(C(=C(C=C1)C2=CC=CC=C2)F)F

InChI

InChI=1S/C27H36F2O3/c1-4-6-7-8-9-13-20-31-27(3,5-2)19-18-24(30)32-23-17-16-22(25(28)26(23)29)21-14-11-10-12-15-21/h10-12,14-17H,4-9,13,18-20H2,1-3H3