triethyl 2-oxidanylidene-1-(phenylmethyl)pentane-1,1,5-tricarboxylate

Systemtic Name: triethyl 2-oxidanylidene-1-(phenylmethyl)pentane-1,1,5-tricarboxylate Openeye Name: triethyl 1-benzyl-2-oxo-pentane-1,1,5-tricarboxylate CAS Name: 2-oxo-1-(phenylmethyl)pentane-1,1,5-tricarboxylic acid triethyl ester IUPAC Name: triethyl 1-benzyl-2-oxopentane-1,1,5-tricarboxylate Traditional Name: 1-benzyl-2-keto-pentane-1,1,5-tricarboxylic acid triethyl ester Formula: C21H28O7 MolecularWeight: 392.44282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC(=O)C(CC1=CC=CC=C1)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCCC(=O)C(CC1=CC=CC=C1)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H28O7/c1-4-26-18(23)14-10-13-17(22)21(19(24)27-5-2,20(25)28-6-3)15-16-11-8-7-9-12-16/h7-9,11-12H,4-6,10,13-15H2,1-3H3