chloranylruthenium(1+); [2-(2-diphenylphosphanyl-6-methyl-phenyl)-3-methyl-phenyl]-diphenyl-phosphane

Systemtic Name: chloranylruthenium(1+); [2-(2-diphenylphosphanyl-6-methyl-phenyl)-3-methyl-phenyl]-diphenyl-phosphane Openeye Name: chlororuthenium(1+); [2-(2-diphenylphosphanyl-6-methyl-phenyl)-3-methyl-phenyl]-diphenyl-phosphane CAS Name: chlororuthenium(1+); [2-(2-diphenylphosphino-6-methylphenyl)-3-methylphenyl]-diphenylphosphine IUPAC Name: chlororuthenium(1+); [2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane Traditional Name: chlororuthenium(1+); [2-(2-diphenylphosphino-6-methyl-phenyl)-3-methyl-phenyl]-diphenyl-phosphine Formula: C76H64ClP4Ru+ MolecularWeight: 1237.739404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)C.CC1=C(C(=CC=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)C.Cl[Ru+]

Isomeric SMILES

CC1=C(C(=CC=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)C.CC1=C(C(=CC=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)C.Cl[Ru+]

InChI

InChI=1S/2C38H32P2.ClH.Ru/c2*1-29-17-15-27-35(39(31-19-7-3-8-20-31)32-21-9-4-10-22-32)37(29)38-30(2)18-16-28-36(38)40(33-23-11-5-12-24-33)34-25-13-6-14-26-34;;/h2*3-28H,1-2H3;1H;/q;;;+2/p-1