[1,3,3-tris[(3-cyclohexyl-3-oxidanylidene-propanoyl)oxymethyl]-2-oxidanyl-cyclohexyl]methyl 3-cyclohexyl-3-oxidanylidene-propanoate

Systemtic Name: [1,3,3-tris[(3-cyclohexyl-3-oxidanylidene-propanoyl)oxymethyl]-2-oxidanyl-cyclohexyl]methyl 3-cyclohexyl-3-oxidanylidene-propanoate Openeye Name: [1,3,3-tris[(3-cyclohexyl-3-oxo-propanoyl)oxymethyl]-2-hydroxy-cyclohexyl]methyl 3-cyclohexyl-3-oxo-propanoate CAS Name: 3-cyclohexyl-3-oxopropanoic acid [1,3,3-tris[(3-cyclohexyl-1,3-dioxopropoxy)methyl]-2-hydroxycyclohexyl]methyl ester IUPAC Name: [1,3,3-tris[(3-cyclohexyl-3-oxopropanoyl)oxymethyl]-2-hydroxycyclohexyl]methyl 3-cyclohexyl-3-oxopropanoate Traditional Name: 3-cyclohexyl-3-keto-propionic acid [1,3,3-tris[(3-cyclohexyl-3-keto-propanoyl)oxymethyl]-2-hydroxy-cyclohexyl]methyl ester Formula: C46H68O13 MolecularWeight: 829.02432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)CC(=O)OCC2(CCCC(C2O)(COC(=O)CC(=O)C3CCCCC3)COC(=O)CC(=O)C4CCCCC4)COC(=O)CC(=O)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)C(=O)CC(=O)OCC2(CCCC(C2O)(COC(=O)CC(=O)C3CCCCC3)COC(=O)CC(=O)C4CCCCC4)COC(=O)CC(=O)C5CCCCC5

InChI

InChI=1S/C46H68O13/c47-36(32-14-5-1-6-15-32)24-40(51)56-28-45(29-57-41(52)25-37(48)33-16-7-2-8-17-33)22-13-23-46(44(45)55,30-58-42(53)26-38(49)34-18-9-3-10-19-34)31-59-43(54)27-39(50)35-20-11-4-12-21-35/h32-35,44,55H,1-31H2