chloranyliridium(2+); [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate

Systemtic Name: chloranyliridium(2+); [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate Openeye Name: chloroiridium(2+); [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate CAS Name: buta-1,3-diene-1,2,3,4-tetracarboxylic acid tetramethyl ester; chloroiridium(2+); [3-diphenylphosphino-2-(diphenylphosphinomethyl)-2-methylpropyl]-diphenylphosphine IUPAC Name: chloroiridium(2+); [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane; tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate Traditional Name: buta-1,3-diene-1,2,3,4-tetracarboxylic acid tetramethyl ester; chloroiridium(2+); [3-diphenylphosphino-2-(diphenylphosphinomethyl)-2-methyl-propyl]-diphenyl-phosphine Formula: C53H51ClIrO8P3 MolecularWeight: 1136.558523

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Descriptors Computed from Structure

Canonical SMILES:

CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6.COC(=O)[C-]=C(C(=[C-]C(=O)OC)C(=O)OC)C(=O)OC.Cl[Ir+2]

Isomeric SMILES

CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6.COC(=O)[C-]=C(C(=[C-]C(=O)OC)C(=O)OC)C(=O)OC.Cl[Ir+2]

InChI

InChI=1S/C41H39P3.C12H12O8.ClH.Ir/c1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40;1-17-9(13)5-7(11(15)19-3)8(12(16)20-4)6-10(14)18-2;;/h2-31H,32-34H2,1H3;1-4H3;1H;/q;-2;;+3/p-1