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

Systemtic Name: (4-heptoxyphenyl) 2-fluoranyl-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-heptoxyphenyl) 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-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 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-heptoxyphenyl) ester Formula: C29H45FO5 MolecularWeight: 492.663003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2F)C3OCC(CO3)CCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2F)C3OCC(CO3)CCCCC

InChI

InChI=1S/C29H45FO5/c1-3-5-7-8-10-18-32-24-13-15-25(16-14-24)35-28(31)26-17-12-23(19-27(26)30)29-33-20-22(21-34-29)11-9-6-4-2/h13-16,22-23,26-27,29H,3-12,17-21H2,1-2H3