methanal; ruthenium(4+); tris(4-methylphenyl) phosphite; tetrachloride

Systemtic Name: methanal; ruthenium(4+); tris(4-methylphenyl) phosphite; tetrachloride Openeye Name: formaldehyde; ruthenium(4+); tris-p-tolyl phosphite; tetrachloride CAS Name: formaldehyde; phosphorous acid tris(4-methylphenyl) ester; ruthenium(4+); tetrachloride IUPAC Name: formaldehyde; ruthenium(4+); tris(4-methylphenyl) phosphite; tetrachloride Traditional Name: formaldehyde; phosphorous acid tris-p-tolyl ester; ruthenium(4+); tetrachloride Formula: C43H44Cl4O7P2Ru MolecularWeight: 977.634782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.CC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.C=O.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+4]

Isomeric SMILES

CC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.CC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.C=O.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+4]

InChI

InChI=1S/2C21H21O3P.CH2O.4ClH.Ru/c2*1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21;1-2;;;;;/h2*4-15H,1-3H3;1H2;4*1H;/q;;;;;;;+4/p-4