methanal; ruthenium(2+); tris(4-methylphenyl)phosphane

Systemtic Name: methanal; ruthenium(2+); tris(4-methylphenyl)phosphane Openeye Name: formaldehyde; ruthenium(2+); tris-p-tolylphosphane CAS Name: formaldehyde; ruthenium(2+); tris(4-methylphenyl)phosphine IUPAC Name: formaldehyde; ruthenium(2+); tris(4-methylphenyl)phosphane Traditional Name: formaldehyde; ruthenium(2+); tris-p-tolylphosphine Formula: C65H67O2P3Ru+2 MolecularWeight: 1074.217563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.C=O.C=O.[Ru+2]

Isomeric SMILES

CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.C=O.C=O.[Ru+2]

InChI

InChI=1S/3C21H21P.2CH2O.Ru/c3*1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;2*1-2;/h3*4-15H,1-3H3;2*1H2;/q;;;;;+2