[4-[3-(4-acetyloxy-3-oxidanyl-cyclohexyl)heptan-3-yl]-2-oxidanyl-cyclohexyl] ethanoate

Systemtic Name: [4-[3-(4-acetyloxy-3-oxidanyl-cyclohexyl)heptan-3-yl]-2-oxidanyl-cyclohexyl] ethanoate Openeye Name: [4-[1-(4-acetoxy-3-hydroxy-cyclohexyl)-1-ethyl-pentyl]-2-hydroxy-cyclohexyl] acetate CAS Name: acetic acid [4-[3-(4-acetyloxy-3-hydroxycyclohexyl)heptan-3-yl]-2-hydroxycyclohexyl] ester IUPAC Name: [4-[3-(4-acetyloxy-3-hydroxycyclohexyl)heptan-3-yl]-2-hydroxycyclohexyl] acetate Traditional Name: acetic acid [4-[1-(4-acetoxy-3-hydroxy-cyclohexyl)-1-ethyl-pentyl]-2-hydroxy-cyclohexyl] ester Formula: C23H40O6 MolecularWeight: 412.5601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(C1CCC(C(C1)O)OC(=O)C)C2CCC(C(C2)O)OC(=O)C

Isomeric SMILES

CCCCC(CC)(C1CCC(C(C1)O)OC(=O)C)C2CCC(C(C2)O)OC(=O)C

InChI

InChI=1S/C23H40O6/c1-5-7-12-23(6-2,17-8-10-21(19(26)13-17)28-15(3)24)18-9-11-22(20(27)14-18)29-16(4)25/h17-22,26-27H,5-14H2,1-4H3