(4-hexoxyphenyl) 2-fluoranyl-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate

Systemtic Name: (4-hexoxyphenyl) 2-fluoranyl-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-hexoxyphenyl) 2-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexanecarboxylate CAS Name: 2-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)-1-cyclohexanecarboxylic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 2-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(5-amyl-1,3-dioxan-2-yl)-2-fluoro-cyclohexanecarboxylic acid (4-hexoxyphenyl) ester Formula: C28H43FO5 MolecularWeight: 478.636423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2F)C3OCC(CO3)CCCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2F)C3OCC(CO3)CCCCC

InChI

InChI=1S/C28H43FO5/c1-3-5-7-9-17-31-23-12-14-24(15-13-23)34-27(30)25-16-11-22(18-26(25)29)28-32-19-21(20-33-28)10-8-6-4-2/h12-15,21-22,25-26,28H,3-11,16-20H2,1-2H3