chloranyliridium(2+); 2-phenylethenylbenzene; triphenylphosphane

Systemtic Name: chloranyliridium(2+); 2-phenylethenylbenzene; triphenylphosphane Openeye Name: chloroiridium(2+); 2-phenylvinylbenzene; triphenylphosphane CAS Name: chloroiridium(2+); 2-phenylethenylbenzene; triphenylphosphine IUPAC Name: chloroiridium(2+); 2-phenylethenylbenzene; triphenylphosphane Traditional Name: chloroiridium(2+); 2-phenylvinylbenzene; triphenylphosphine Formula: C50H40ClIrP2 MolecularWeight: 930.470122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[C-]=CC2=CC=CC=[C-]2.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.Cl[Ir+2]

Isomeric SMILES

C1=CC=C(C=C1)[C-]=CC2=CC=CC=[C-]2.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.Cl[Ir+2]

InChI

InChI=1S/2C18H15P.C14H10.ClH.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;;/h2*1-15H;1-9,12H;1H;/q;;-2;;+3/p-1