[4-(5-heptyl-1,3-dioxan-2-yl)phenyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [4-(5-heptyl-1,3-dioxan-2-yl)phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [4-(5-heptyl-1,3-dioxan-2-yl)phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-(5-heptyl-1,3-dioxan-2-yl)phenyl] ester IUPAC Name: [4-(5-heptyl-1,3-dioxan-2-yl)phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-(5-heptyl-1,3-dioxan-2-yl)phenyl] ester Formula: C28H44O4 MolecularWeight: 444.64656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COC(OC1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCC

Isomeric SMILES

CCCCCCCC1COC(OC1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCC

InChI

InChI=1S/C28H44O4/c1-3-5-7-8-9-11-23-20-30-28(31-21-23)25-16-18-26(19-17-25)32-27(29)24-14-12-22(13-15-24)10-6-4-2/h16-19,22-24,28H,3-15,20-21H2,1-2H3