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

Systemtic Name: chloranyliridium(2+); tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate; triphenylphosphane Openeye Name: chloroiridium(2+); tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate; triphenylphosphane CAS Name: buta-1,3-diene-1,2,3,4-tetracarboxylic acid tetramethyl ester; chloroiridium(2+); triphenylphosphine IUPAC Name: chloroiridium(2+); tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate; triphenylphosphane Traditional Name: buta-1,3-diene-1,2,3,4-tetracarboxylic acid tetramethyl ester; chloroiridium(2+); triphenylphosphine Formula: C48H42ClIrO8P2 MolecularWeight: 1036.459802

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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)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

COC(=O)[C-]=C(C(=[C-]C(=O)OC)C(=O)OC)C(=O)OC.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.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