diethyl 2-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenoxypropyl)propanedioate

Systemtic Name: diethyl 2-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenoxypropyl)propanedioate Openeye Name: diethyl 2-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenoxypropyl)propanedioate CAS Name: 2-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenoxypropyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenoxypropyl)propanedioate Traditional Name: 2-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenoxypropyl)malonic acid diethyl ester Formula: C18H26O5 MolecularWeight: 327.426849

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCOC1=CC=CC=C1)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

[2H]C([2H])([2H])C([2H])([2H])C(CCCOC1=CC=CC=C1)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C18H26O5/c1-4-18(16(19)21-5-2,17(20)22-6-3)13-10-14-23-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3/i1D3,4D2