diethyl 2-[4-(4-tert-butylphenyl)-4-oxidanylidene-butan-2-yl]propanedioate

Systemtic Name: diethyl 2-[4-(4-tert-butylphenyl)-4-oxidanylidene-butan-2-yl]propanedioate Openeye Name: diethyl 2-[3-(4-tert-butylphenyl)-1-methyl-3-oxo-propyl]propanedioate CAS Name: 2-[4-(4-tert-butylphenyl)-4-oxobutan-2-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(4-tert-butylphenyl)-4-oxobutan-2-yl]propanedioate Traditional Name: 2-[3-(4-tert-butylphenyl)-3-keto-1-methyl-propyl]malonic acid diethyl ester Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O5/c1-7-25-19(23)18(20(24)26-8-2)14(3)13-17(22)15-9-11-16(12-10-15)21(4,5)6/h9-12,14,18H,7-8,13H2,1-6H3