tris(chloranyl)iridium; tris(2-methylphenyl) phosphite

Systemtic Name: tris(chloranyl)iridium; tris(2-methylphenyl) phosphite Openeye Name: trichloroiridium; tris-o-tolyl phosphite CAS Name: phosphorous acid tris(2-methylphenyl) ester; trichloroiridium IUPAC Name: trichloroiridium; tris(2-methylphenyl) phosphite Traditional Name: phosphorous acid tris-o-tolyl ester; trichloroiridium Formula: C63H63Cl3IrO9P3 MolecularWeight: 1355.666203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OP(OC2=CC=CC=C2C)OC3=CC=CC=C3C.CC1=CC=CC=C1OP(OC2=CC=CC=C2C)OC3=CC=CC=C3C.CC1=CC=CC=C1OP(OC2=CC=CC=C2C)OC3=CC=CC=C3C.Cl[Ir](Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1OP(OC2=CC=CC=C2C)OC3=CC=CC=C3C.CC1=CC=CC=C1OP(OC2=CC=CC=C2C)OC3=CC=CC=C3C.CC1=CC=CC=C1OP(OC2=CC=CC=C2C)OC3=CC=CC=C3C.Cl[Ir](Cl)Cl

InChI

InChI=1S/3C21H21O3P.3ClH.Ir/c3*1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3;;;;/h3*4-15H,1-3H3;3*1H;/q;;;;;;+3/p-3