[4-[bis(4-acetyloxy-3-oxidanyl-cyclohexyl)methyl]-2-oxidanyl-cyclohexyl] ethanoate

Systemtic Name: [4-[bis(4-acetyloxy-3-oxidanyl-cyclohexyl)methyl]-2-oxidanyl-cyclohexyl] ethanoate Openeye Name: [4-[bis(4-acetoxy-3-hydroxy-cyclohexyl)methyl]-2-hydroxy-cyclohexyl] acetate CAS Name: acetic acid [4-[bis(4-acetyloxy-3-hydroxycyclohexyl)methyl]-2-hydroxycyclohexyl] ester IUPAC Name: [4-[bis(4-acetyloxy-3-hydroxycyclohexyl)methyl]-2-hydroxycyclohexyl] acetate Traditional Name: acetic acid [4-[bis(4-acetoxy-3-hydroxy-cyclohexyl)methyl]-2-hydroxy-cyclohexyl] ester Formula: C25H40O9 MolecularWeight: 484.5797

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(CC1O)C(C2CCC(C(C2)O)OC(=O)C)C3CCC(C(C3)O)OC(=O)C

Isomeric SMILES

CC(=O)OC1CCC(CC1O)C(C2CCC(C(C2)O)OC(=O)C)C3CCC(C(C3)O)OC(=O)C

InChI

InChI=1S/C25H40O9/c1-13(26)32-22-7-4-16(10-19(22)29)25(17-5-8-23(20(30)11-17)33-14(2)27)18-6-9-24(21(31)12-18)34-15(3)28/h16-25,29-31H,4-12H2,1-3H3