O1-[2,2-bis[(4,4-diethanoyl-7-ethoxy-7-oxidanylidene-heptanoyl)oxymethyl]butyl] O7-ethyl 4,4-diethanoylheptanedioate

Systemtic Name: O1-[2,2-bis[(4,4-diethanoyl-7-ethoxy-7-oxidanylidene-heptanoyl)oxymethyl]butyl] O7-ethyl 4,4-diethanoylheptanedioate Openeye Name: O1-[2,2-bis[(4,4-diacetyl-7-ethoxy-7-oxo-heptanoyl)oxymethyl]butyl] O7-ethyl 4,4-diacetylheptanedioate CAS Name: 4,4-diacetylheptanedioic acid O1-[2,2-bis[(4,4-diacetyl-7-ethoxy-1,7-dioxoheptoxy)methyl]butyl] ester O7-ethyl ester IUPAC Name: 1-O-[2,2-bis[(4,4-diacetyl-7-ethoxy-7-oxoheptanoyl)oxymethyl]butyl] 7-O-ethyl 4,4-diacetylheptanedioate Traditional Name: 4,4-diacetylpimelic acid O1-[2,2-bis[(4,4-diacetyl-7-ethoxy-7-keto-heptanoyl)oxymethyl]butyl] ester O7-ethyl ester Formula: C45H68O18 MolecularWeight: 897.01062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)CCC(CCC(=O)OCC)(C(=O)C)C(=O)C)(COC(=O)CCC(CCC(=O)OCC)(C(=O)C)C(=O)C)COC(=O)CCC(CCC(=O)OCC)(C(=O)C)C(=O)C

Isomeric SMILES

CCC(COC(=O)CCC(CCC(=O)OCC)(C(=O)C)C(=O)C)(COC(=O)CCC(CCC(=O)OCC)(C(=O)C)C(=O)C)COC(=O)CCC(CCC(=O)OCC)(C(=O)C)C(=O)C

InChI

InChI=1S/C45H68O18/c1-11-42(27-61-39(55)18-24-43(30(5)46,31(6)47)21-15-36(52)58-12-2,28-62-40(56)19-25-44(32(7)48,33(8)49)22-16-37(53)59-13-3)29-63-41(57)20-26-45(34(9)50,35(10)51)23-17-38(54)60-14-4/h11-29H2,1-10H3