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

Systemtic Name: (4-heptylphenyl) 2-methyl-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-heptylphenyl) 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-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 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-heptylphenyl) ester Formula: C30H48O4 MolecularWeight: 472.69972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2C)C3OCC(CO3)CCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2C)C3OCC(CO3)CCCCC

InChI

InChI=1S/C30H48O4/c1-4-6-8-9-11-12-24-14-17-27(18-15-24)34-29(31)28-19-16-26(20-23(28)3)30-32-21-25(22-33-30)13-10-7-5-2/h14-15,17-18,23,25-26,28,30H,4-13,16,19-22H2,1-3H3