O1-[3-(4,4-diethanoyl-7-ethoxy-7-oxidanylidene-heptanoyl)oxy-2,2-dimethyl-propyl] O7-ethyl 4,4-diethanoylheptanedioate

Systemtic Name: O1-[3-(4,4-diethanoyl-7-ethoxy-7-oxidanylidene-heptanoyl)oxy-2,2-dimethyl-propyl] O7-ethyl 4,4-diethanoylheptanedioate Openeye Name: O1-[3-(4,4-diacetyl-7-ethoxy-7-oxo-heptanoyl)oxy-2,2-dimethyl-propyl] O7-ethyl 4,4-diacetylheptanedioate CAS Name: 4,4-diacetylheptanedioic acid O1-[3-(4,4-diacetyl-7-ethoxy-1,7-dioxoheptoxy)-2,2-dimethylpropyl] ester O7-ethyl ester IUPAC Name: 1-O-[3-(4,4-diacetyl-7-ethoxy-7-oxoheptanoyl)oxy-2,2-dimethylpropyl] 7-O-ethyl 4,4-diacetylheptanedioate Traditional Name: 4,4-diacetylpimelic acid O1-[3-(4,4-diacetyl-7-ethoxy-7-keto-heptanoyl)oxy-2,2-dimethyl-propyl] ester O7-ethyl ester Formula: C31H48O12 MolecularWeight: 612.70562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48O12/c1-9-40-25(36)11-15-30(21(3)32,22(4)33)17-13-27(38)42-19-29(7,8)20-43-28(39)14-18-31(23(5)34,24(6)35)16-12-26(37)41-10-2/h9-20H2,1-8H3