O1-ethyl O2-(2,3,4-trideuterio-6-ethoxycarbonyl-phenyl)carbonyl 3,4,5-trideuteriobenzene-1,2-dicarboxylate

Systemtic Name: O1-ethyl O2-(2,3,4-trideuterio-6-ethoxycarbonyl-phenyl)carbonyl 3,4,5-trideuteriobenzene-1,2-dicarboxylate Openeye Name: O1-ethyl O2-(2,3,4-trideuterio-6-ethoxycarbonyl-benzoyl) 3,4,5-trideuteriobenzene-1,2-dicarboxylate CAS Name: 3,4,5-trideuteriobenzene-1,2-dicarboxylic acid O1-ethyl ester O2-[oxo-(2,3,4-trideuterio-6-ethoxycarbonylphenyl)methyl] ester IUPAC Name: 1-O-ethyl 2-O-(2,3,4-trideuterio-6-ethoxycarbonylbenzoyl) 3,4,5-trideuteriobenzene-1,2-dicarboxylate Traditional Name: 3,4,5-trideuteriobenzene-1,2-dicarboxylic acid O2-(6-carbethoxy-2,3,4-trideuterio-benzoyl) ester O1-ethyl ester Formula: C20H18O7 MolecularWeight: 376.389691

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C(=O)OC(=O)C2=CC=CC=C2C(=O)OCC

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1)C(=O)OCC)C(=O)OC(=O)C2=C(C(=C(C=C2C(=O)OCC)[2H])[2H])[2H])[2H])[2H]

InChI

InChI=1S/C20H18O7/c1-3-25-17(21)13-9-5-7-11-15(13)19(23)27-20(24)16-12-8-6-10-14(16)18(22)26-4-2/h5-12H,3-4H2,1-2H3/i5D,6D,7D,8D,11D,12D