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

Systemtic Name: (4-hexoxyphenyl) 2-methyl-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-hexoxyphenyl) 2-methyl-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexanecarboxylate CAS Name: 2-methyl-4-(5-pentyl-1,3-dioxan-2-yl)-1-cyclohexanecarboxylic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 2-methyl-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(5-amyl-1,3-dioxan-2-yl)-2-methyl-cyclohexanecarboxylic acid (4-hexoxyphenyl) ester Formula: C29H46O5 MolecularWeight: 474.67254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2C)C3OCC(CO3)CCCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2C)C3OCC(CO3)CCCCC

InChI

InChI=1S/C29H46O5/c1-4-6-8-10-18-31-25-13-15-26(16-14-25)34-28(30)27-17-12-24(19-22(27)3)29-32-20-23(21-33-29)11-9-7-5-2/h13-16,22-24,27,29H,4-12,17-21H2,1-3H3