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

Systemtic Name: (4-heptoxyphenyl) 2-methyl-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-heptoxyphenyl) 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-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 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-heptoxyphenyl) ester Formula: C30H48O5 MolecularWeight: 488.69912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2C)C3OCC(CO3)CCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2C)C3OCC(CO3)CCCCC

InChI

InChI=1S/C30H48O5/c1-4-6-8-9-11-19-32-26-14-16-27(17-15-26)35-29(31)28-18-13-25(20-23(28)3)30-33-21-24(22-34-30)12-10-7-5-2/h14-17,23-25,28,30H,4-13,18-22H2,1-3H3