chloranyliridium(2+); tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate; triphenylphosphanium

Systemtic Name: chloranyliridium(2+); tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate; triphenylphosphanium Openeye Name: chloroiridium(2+); tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate; triphenylphosphonium CAS Name: buta-1,3-diene-1,2,3,4-tetracarboxylic acid tetramethyl ester; chloroiridium(2+); triphenylphosphonium IUPAC Name: chloroiridium(2+); tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate; triphenylphosphanium Traditional Name: buta-1,3-diene-1,2,3,4-tetracarboxylic acid tetramethyl ester; chloroiridium(2+); triphenylphosphonium Formula: C48H44ClIrO8P2+2 MolecularWeight: 1038.475682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[C-]=C(C(=[C-]C(=O)OC)C(=O)OC)C(=O)OC.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ir+2]

Isomeric SMILES

COC(=O)[C-]=C(C(=[C-]C(=O)OC)C(=O)OC)C(=O)OC.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ir+2]

InChI

InChI=1S/2C18H15P.C12H12O8.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;1-17-9(13)5-7(11(15)19-3)8(12(16)20-4)6-10(14)18-2;;/h2*1-15H;1-4H3;1H;/q;;-2;;+3/p+1