2,3-bis(phenylmethylidene)naphthalene-1,4-dione; chloranyliridium(2+); triphenylphosphane

Systemtic Name: 2,3-bis(phenylmethylidene)naphthalene-1,4-dione; chloranyliridium(2+); triphenylphosphane Openeye Name: 2,3-bis(phenylmethylene)tetralin-1,4-dione; chloroiridium(2+); triphenylphosphane CAS Name: 2,3-bis(phenylmethylidene)naphthalene-1,4-dione; chloroiridium(2+); triphenylphosphine IUPAC Name: 2,3-bis(phenylmethylidene)naphthalene-1,4-dione; chloroiridium(2+); triphenylphosphane Traditional Name: 2,3-bis(phenylmethylene)tetralin-1,4-quinone; chloroiridium(2+); triphenylphosphine Formula: C60H44ClIrO2P2 MolecularWeight: 1086.607682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[C-]=C2C(=[C-]C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=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.Cl[Ir+2]

Isomeric SMILES

C1=CC=C(C=C1)[C-]=C2C(=[C-]C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=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.Cl[Ir+2]

InChI

InChI=1S/C24H14O2.2C18H15P.ClH.Ir/c25-23-19-13-7-8-14-20(19)24(26)22(16-18-11-5-2-6-12-18)21(23)15-17-9-3-1-4-10-17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-14H;2*1-15H;1H;/q-2;;;;+3/p-1