diethyl 3-(4-chloranyl-2,3,5,6-tetradeuterio-phenyl)-2-ethanoyl-pentanedioate

Systemtic Name: diethyl 3-(4-chloranyl-2,3,5,6-tetradeuterio-phenyl)-2-ethanoyl-pentanedioate Openeye Name: diethyl 2-acetyl-3-(4-chloro-2,3,5,6-tetradeuterio-phenyl)pentanedioate CAS Name: 2-acetyl-3-(4-chloro-2,3,5,6-tetradeuteriophenyl)pentanedioic acid diethyl ester IUPAC Name: diethyl 2-acetyl-3-(4-chloro-2,3,5,6-tetradeuteriophenyl)pentanedioate Traditional Name: 2-acetyl-3-(4-chloro-2,3,5,6-tetradeuterio-phenyl)glutaric acid diethyl ester Formula: C17H21ClO5 MolecularWeight: 344.823287

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(C=C1)Cl)C(C(=O)C)C(=O)OCC

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1C(CC(=O)OCC)C(C(=O)C)C(=O)OCC)[2H])[2H])Cl)[2H]

InChI

InChI=1S/C17H21ClO5/c1-4-22-15(20)10-14(12-6-8-13(18)9-7-12)16(11(3)19)17(21)23-5-2/h6-9,14,16H,4-5,10H2,1-3H3/i6D,7D,8D,9D