2-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-4-hexyl-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C2=C(C=CC(=C2)CCCCCC)C(=O)O)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2=C(C=CC(=C2)CCCCCC)C(=O)O)F)F

InChI

InChI=1S/C27H36F2O3/c1-3-5-7-9-10-12-18-32-24-17-16-21(25(28)26(24)29)23-19-20(13-11-8-6-4-2)14-15-22(23)27(30)31/h14-17,19H,3-13,18H2,1-2H3,(H,30,31)