palladium(2+); (E,4Z)-7-phenyl-4-(phenylmethylidene)hept-6-ene-2,5-dione

Systemtic Name: palladium(2+); (E,4Z)-7-phenyl-4-(phenylmethylidene)hept-6-ene-2,5-dione Openeye Name: (E,4Z)-4-benzylidene-7-phenyl-hept-6-ene-2,5-dione; palladium(2+) CAS Name: palladium(2+); (E,4Z)-7-phenyl-4-(phenylmethylene)-6-heptene-2,5-dione IUPAC Name: (E,4Z)-4-benzylidene-7-phenylhept-6-ene-2,5-dione; palladium(2+) Traditional Name: (E,4Z)-4-benzal-7-phenyl-hept-6-ene-2,5-dione; palladium(2+) Formula: C60H54O6Pd2+4 MolecularWeight: 1083.90716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=CC1=CC=CC=C1)C(=O)C=CC2=CC=CC=C2.CC(=O)CC(=CC1=CC=CC=C1)C(=O)C=CC2=CC=CC=C2.CC(=O)CC(=CC1=CC=CC=C1)C(=O)C=CC2=CC=CC=C2.[Pd+2].[Pd+2]

Isomeric SMILES

CC(=O)C/C(=C/C1=CC=CC=C1)/C(=O)/C=C/C2=CC=CC=C2.CC(=O)C/C(=C/C1=CC=CC=C1)/C(=O)/C=C/C2=CC=CC=C2.CC(=O)C/C(=C/C1=CC=CC=C1)/C(=O)/C=C/C2=CC=CC=C2.[Pd+2].[Pd+2]

InChI

InChI=1S/3C20H18O2.2Pd/c3*1-16(21)14-19(15-18-10-6-3-7-11-18)20(22)13-12-17-8-4-2-5-9-17;;/h3*2-13,15H,14H2,1H3;;/q;;;2*+2/b3*13-12+,19-15-;;