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

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]-4-hexyl-benzoic acid Openeye Name: 2-(2,3-difluoro-4-heptoxy-phenyl)-4-hexyl-benzoic acid CAS Name: 2-(2,3-difluoro-4-heptoxyphenyl)-4-hexylbenzoic acid IUPAC Name: 2-(2,3-difluoro-4-heptoxyphenyl)-4-hexylbenzoic acid Traditional Name: 2-(2,3-difluoro-4-heptoxy-phenyl)-4-hexyl-benzoic acid Formula: C26H34F2O3 MolecularWeight: 432.543166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=C(C=C1)C2=C(C=CC(=C2)CCCCCC)C(=O)O)F)F

Isomeric SMILES

CCCCCCCOC1=C(C(=C(C=C1)C2=C(C=CC(=C2)CCCCCC)C(=O)O)F)F

InChI

InChI=1S/C26H34F2O3/c1-3-5-7-9-11-17-31-23-16-15-20(24(27)25(23)28)22-18-19(12-10-8-6-4-2)13-14-21(22)26(29)30/h13-16,18H,3-12,17H2,1-2H3,(H,29,30)