(1Z,5Z)-cycloocta-1,5-diene; iridium; triphenyl phosphite; tris(fluoranyl)methanesulfonate

Systemtic Name: (1Z,5Z)-cycloocta-1,5-diene; iridium; triphenyl phosphite; tris(fluoranyl)methanesulfonate Openeye Name: (1Z,5Z)-cycloocta-1,5-diene; iridium; trifluoromethanesulfonate; triphenyl phosphite CAS Name: (1Z,5Z)-cycloocta-1,5-diene; iridium; phosphorous acid triphenyl ester; trifluoromethanesulfonate IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene; iridium; trifluoromethanesulfonate; triphenyl phosphite Traditional Name: (1Z,5Z)-cycloocta-1,5-diene; iridium; phosphorous acid triphenyl ester; triflate Formula: C45H42F3IrO9P2S- MolecularWeight: 1070.034312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=CCCC=C1.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].[Ir]

Isomeric SMILES

C1/C=C\CC/C=C\C1.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.C(S(=O)(=O)[O-])(F)(F)F.[Ir]

InChI

InChI=1S/2C18H15O3P.C8H12.CHF3O3S.Ir/c2*1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h2*1-15H;1-2,7-8H,3-6H2;(H,5,6,7);/p-1/b;;2-1-,8-7-;;