O1-(3-oxidanylidenecyclohexyl) O4-[3-(3-oxidanylidenecyclohexyl)oxycarbonyl-1-adamantyl] 2,3-dimethylbutanedioate

Systemtic Name: O1-(3-oxidanylidenecyclohexyl) O4-[3-(3-oxidanylidenecyclohexyl)oxycarbonyl-1-adamantyl] 2,3-dimethylbutanedioate Openeye Name: O4-[3-(3-oxocyclohexoxy)carbonyl-1-adamantyl] O1-(3-oxocyclohexyl) 2,3-dimethylbutanedioate CAS Name: 2,3-dimethylbutanedioic acid O1-(3-oxocyclohexyl) ester O4-[3-[oxo-(3-oxocyclohexyl)oxymethyl]-1-adamantyl] ester IUPAC Name: 1-O-(3-oxocyclohexyl) 4-O-[3-(3-oxocyclohexyl)oxycarbonyl-1-adamantyl] 2,3-dimethylbutanedioate Traditional Name: 2,3-dimethylsuccinic acid O4-[3-(3-ketocyclohexoxy)carbonyl-1-adamantyl] ester O1-(3-ketocyclohexyl) ester Formula: C29H40O8 MolecularWeight: 516.6231

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)C(=O)OC12CC3CC(C1)CC(C3)(C2)C(=O)OC4CCCC(=O)C4)C(=O)OC5CCCC(=O)C5

Isomeric SMILES

CC(C(C)C(=O)OC12CC3CC(C1)CC(C3)(C2)C(=O)OC4CCCC(=O)C4)C(=O)OC5CCCC(=O)C5

InChI

InChI=1S/C29H40O8/c1-17(25(32)35-23-7-3-5-21(30)10-23)18(2)26(33)37-29-14-19-9-20(15-29)13-28(12-19,16-29)27(34)36-24-8-4-6-22(31)11-24/h17-20,23-24H,3-16H2,1-2H3