barium(2+); bis(phenylmethyl) propanedioate

Systemtic Name: barium(2+); bis(phenylmethyl) propanedioate Openeye Name: barium(2+); dibenzyl propanedioate CAS Name: barium(2+); propanedioic acid bis(phenylmethyl) ester IUPAC Name: barium(2+); dibenzyl propanedioate Traditional Name: barium(2+); malonic acid dibenzyl ester Formula: C17H16BaO4+2 MolecularWeight: 421.63354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2.[Ba+2]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2.[Ba+2]

InChI

InChI=1S/C17H16O4.Ba/c18-16(20-12-14-7-3-1-4-8-14)11-17(19)21-13-15-9-5-2-6-10-15;/h1-10H,11-13H2;/q;+2