diethyl 2-[(1R,2S,4R)-4-ethoxycarbonyl-2-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-3-oxidanylidene-cyclohexyl]propanedioate

Systemtic Name: diethyl 2-[(1R,2S,4R)-4-ethoxycarbonyl-2-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-3-oxidanylidene-cyclohexyl]propanedioate Openeye Name: diethyl 2-[(1R,2S,4R)-4-ethoxycarbonyl-2-(3-ethoxy-3-oxo-propyl)-4-methyl-3-oxo-cyclohexyl]propanedioate CAS Name: 2-[(1R,2S,4R)-4-ethoxycarbonyl-2-(3-ethoxy-3-oxopropyl)-4-methyl-3-oxocyclohexyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1R,2S,4R)-4-ethoxycarbonyl-2-(3-ethoxy-3-oxopropyl)-4-methyl-3-oxocyclohexyl]propanedioate Traditional Name: 2-[(1R,2S,4R)-4-carbethoxy-2-(3-ethoxy-3-keto-propyl)-3-keto-4-methyl-cyclohexyl]malonic acid diethyl ester Formula: C22H34O9 MolecularWeight: 442.49996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1C(CCC(C1=O)(C)C(=O)OCC)C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC[C@H]1[C@@H](CC[C@@](C1=O)(C)C(=O)OCC)C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C22H34O9/c1-6-28-16(23)11-10-15-14(17(19(25)29-7-2)20(26)30-8-3)12-13-22(5,18(15)24)21(27)31-9-4/h14-15,17H,6-13H2,1-5H3/t14-,15+,22-/m1/s1