palladium(2+); (Z)-3-propan-2-yl-4-(propan-2-ylamino)pent-3-en-2-one; triphenylphosphane; tetrafluoroborate

Systemtic Name: palladium(2+); (Z)-3-propan-2-yl-4-(propan-2-ylamino)pent-3-en-2-one; triphenylphosphane; tetrafluoroborate Openeye Name: (Z)-4-(isopropylamino)-3-(1-methylethyl)pent-3-en-2-one; palladium(2+); triphenylphosphane; tetrafluoroborate CAS Name: palladium(2+); (Z)-3-propan-2-yl-4-(propan-2-ylamino)-3-penten-2-one; triphenylphosphine; tetrafluoroborate IUPAC Name: palladium(2+); (Z)-3-propan-2-yl-4-(propan-2-ylamino)pent-3-en-2-one; triphenylphosphane; tetrafluoroborate Traditional Name: (Z)-4-(isopropylamino)-3-(1-methylethyl)pent-3-en-2-one; palladium(2+); triphenylphosphine; tetrafluoroborate Formula: C47H48BF4NOP2Pd+ MolecularWeight: 898.062255

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)NC(=C(C(=O)C)[C]([CH2])[CH2])C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pd+2]

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)N/C(=C(\C(=O)C)/[C]([CH2])[CH2])/C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pd+2]

InChI

InChI=1S/2C18H15P.C11H18NO.BF4.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2)11(10(6)13)9(5)12-8(3)4;2-1(3,4)5;/h2*1-15H;8,12H,1-2H2,3-6H3;;/q;;;-1;+2/b;;11-9-;;