cyclopentyl(diphenyl)phosphane; dimethyl but-2-ynedioate; iron(2+); palladium

Systemtic Name: cyclopentyl(diphenyl)phosphane; dimethyl but-2-ynedioate; iron(2+); palladium Openeye Name: ferrous; cyclopentyl(diphenyl)phosphane; dimethyl but-2-ynedioate; palladium CAS Name: 2-butynedioic acid dimethyl ester; cyclopentyl(diphenyl)phosphine; iron(2+); palladium IUPAC Name: cyclopentyl(diphenyl)phosphane; dimethyl but-2-ynedioate; iron(2+); palladium Traditional Name: ferrous; but-2-ynedioic acid dimethyl ester; cyclopentyl(diphenyl)phosphine; palladium Formula: C40H34FeO4P2Pd+2 MolecularWeight: 802.908082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CC(=O)OC.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[Fe+2].[Pd]

Isomeric SMILES

COC(=O)C#CC(=O)OC.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[Fe+2].[Pd]

InChI

InChI=1S/2C17H14P.C6H6O4.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-9-5(7)3-4-6(8)10-2;;/h2*1-14H;1-2H3;;/q;;;+2;