chloranylruthenium(1+); [3-(diphenylphosphanylmethyl)benzene-2-id-1-yl]methyl-diphenyl-phosphane; triphenylphosphane

Systemtic Name: chloranylruthenium(1+); [3-(diphenylphosphanylmethyl)benzene-2-id-1-yl]methyl-diphenyl-phosphane; triphenylphosphane Openeye Name: chlororuthenium(1+); [3-(diphenylphosphanylmethyl)benzene-2-id-1-yl]methyl-diphenyl-phosphane; triphenylphosphane CAS Name: chlororuthenium(1+); [3-(diphenylphosphinomethyl)-1-benzene-2-idyl]methyl-diphenylphosphine; triphenylphosphine IUPAC Name: chlororuthenium(1+); [3-(diphenylphosphanylmethyl)benzene-2-id-1-yl]methyl-diphenylphosphane; triphenylphosphane Traditional Name: chlororuthenium(1+); [3-(diphenylphosphinomethyl)benzene-2-id-1-yl]methyl-diphenyl-phosphine; triphenylphosphine Formula: C50H42ClP3Ru MolecularWeight: 872.312763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(CC2=[C-]C(=CC=C2)CP(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru+]

Isomeric SMILES

C1=CC=C(C=C1)P(CC2=[C-]C(=CC=C2)CP(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru+]

InChI

InChI=1S/C32H27P2.C18H15P.ClH.Ru/c1-5-16-29(17-6-1)33(30-18-7-2-8-19-30)25-27-14-13-15-28(24-27)26-34(31-20-9-3-10-21-31)32-22-11-4-12-23-32;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-23H,25-26H2;1-15H;1H;/q-1;;;+2/p-1