[1-(4-ethylcyclohexyl)-4-bicyclo[2.2.2]octanyl] butanoate; octane

Systemtic Name: [1-(4-ethylcyclohexyl)-4-bicyclo[2.2.2]octanyl] butanoate; octane Openeye Name: [1-(4-ethylcyclohexyl)-4-bicyclo[2.2.2]octanyl] butanoate; octane CAS Name: butanoic acid [1-(4-ethylcyclohexyl)-4-bicyclo[2.2.2]octanyl] ester; octane IUPAC Name: [1-(4-ethylcyclohexyl)-4-bicyclo[2.2.2]octanyl] butanoate; octane Traditional Name: butyric acid [1-(4-ethylcyclohexyl)-4-bicyclo[2.2.2]octanyl] ester; n-octane Formula: C28H52O2 MolecularWeight: 420.71128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC.CCCC(=O)OC12CCC(CC1)(CC2)C3CCC(CC3)CC

Isomeric SMILES

CCCCCCCC.CCCC(=O)OC12CCC(CC1)(CC2)C3CCC(CC3)CC

InChI

InChI=1S/C20H34O2.C8H18/c1-3-5-18(21)22-20-13-10-19(11-14-20,12-15-20)17-8-6-16(4-2)7-9-17;1-3-5-7-8-6-4-2/h16-17H,3-15H2,1-2H3;3-8H2,1-2H3