[4-(2-heptyl-5-methyl-1,3-dioxan-5-yl)cyclohexyl] butanoate

Systemtic Name: [4-(2-heptyl-5-methyl-1,3-dioxan-5-yl)cyclohexyl] butanoate Openeye Name: [4-(2-heptyl-5-methyl-1,3-dioxan-5-yl)cyclohexyl] butanoate CAS Name: butanoic acid [4-(2-heptyl-5-methyl-1,3-dioxan-5-yl)cyclohexyl] ester IUPAC Name: [4-(2-heptyl-5-methyl-1,3-dioxan-5-yl)cyclohexyl] butanoate Traditional Name: butyric acid [4-(2-heptyl-5-methyl-1,3-dioxan-5-yl)cyclohexyl] ester Formula: C22H40O4 MolecularWeight: 368.5506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1OCC(CO1)(C)C2CCC(CC2)OC(=O)CCC

Isomeric SMILES

CCCCCCCC1OCC(CO1)(C)C2CCC(CC2)OC(=O)CCC

InChI

InChI=1S/C22H40O4/c1-4-6-7-8-9-11-21-24-16-22(3,17-25-21)18-12-14-19(15-13-18)26-20(23)10-5-2/h18-19,21H,4-17H2,1-3H3