1,2,3,4,5-pentakis(fluoranyl)benzene-6-ide; 3-phenylpropanal; platinum(2+); triphenylphosphane

Systemtic Name: 1,2,3,4,5-pentakis(fluoranyl)benzene-6-ide; 3-phenylpropanal; platinum(2+); triphenylphosphane Openeye Name: 1,2,3,4,5-pentafluorobenzene-6-ide; 3-phenylpropanal; platinum(2+); triphenylphosphane CAS Name: 1,2,3,4,5-pentafluorobenzene-6-ide; 3-phenylpropanal; platinum(2+); triphenylphosphine IUPAC Name: 1,2,3,4,5-pentafluorobenzene-6-ide; 3-phenylpropanal; platinum(2+); triphenylphosphane Traditional Name: 1,2,3,4,5-pentafluorobenzene-6-ide; 3-phenylpropionaldehyde; platinum(2+); triphenylphosphine Formula: C75H54F10OP3Pt2+ MolecularWeight: 1644.291975

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[CH-]C=O.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.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[Pt+2].[Pt+2]

Isomeric SMILES

C1=CC=C(C=C1)C[CH-]C=O.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.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[Pt+2].[Pt+2]

InChI

InChI=1S/3C18H15P.C9H9O.2C6F5.2Pt/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;10-8-4-7-9-5-2-1-3-6-9;2*7-2-1-3(8)5(10)6(11)4(2)9;;/h3*1-15H;1-6,8H,7H2;;;;/q;;;3*-1;2*+2