[4-[4,4-bis(4-acetyloxy-3-oxidanyl-cyclohexyl)butan-2-yl]-2-oxidanyl-cyclohexyl] ethanoate

Systemtic Name: [4-[4,4-bis(4-acetyloxy-3-oxidanyl-cyclohexyl)butan-2-yl]-2-oxidanyl-cyclohexyl] ethanoate Openeye Name: [4-[3,3-bis(4-acetoxy-3-hydroxy-cyclohexyl)-1-methyl-propyl]-2-hydroxy-cyclohexyl] acetate CAS Name: acetic acid [4-[4,4-bis(4-acetyloxy-3-hydroxycyclohexyl)butan-2-yl]-2-hydroxycyclohexyl] ester IUPAC Name: [4-[4,4-bis(4-acetyloxy-3-hydroxycyclohexyl)butan-2-yl]-2-hydroxycyclohexyl] acetate Traditional Name: acetic acid [4-[3,3-bis(4-acetoxy-3-hydroxy-cyclohexyl)-1-methyl-propyl]-2-hydroxy-cyclohexyl] ester Formula: C28H46O9 MolecularWeight: 526.65944

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1CCC(C(C1)O)OC(=O)C)C2CCC(C(C2)O)OC(=O)C)C3CCC(C(C3)O)OC(=O)C

Isomeric SMILES

CC(CC(C1CCC(C(C1)O)OC(=O)C)C2CCC(C(C2)O)OC(=O)C)C3CCC(C(C3)O)OC(=O)C

InChI

InChI=1S/C28H46O9/c1-15(19-5-8-26(23(32)12-19)35-16(2)29)11-22(20-6-9-27(24(33)13-20)36-17(3)30)21-7-10-28(25(34)14-21)37-18(4)31/h15,19-28,32-34H,5-14H2,1-4H3