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

Systemtic Name: (4-pentylphenyl) 2-methyl-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-pentylphenyl) 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-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 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-amylphenyl) ester Formula: C28H44O4 MolecularWeight: 444.64656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)C2CCC(C(C2)C)C(=O)OC3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCC1COC(OC1)C2CCC(C(C2)C)C(=O)OC3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C28H44O4/c1-4-6-8-10-22-12-15-25(16-13-22)32-27(29)26-17-14-24(18-21(26)3)28-30-19-23(20-31-28)11-9-7-5-2/h12-13,15-16,21,23-24,26,28H,4-11,14,17-20H2,1-3H3