bis(chloranyl)ruthenium; (1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenyl-ethanamine; 1-methyl-4-propan-2-yl-benzene

Systemtic Name: bis(chloranyl)ruthenium; (1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenyl-ethanamine; 1-methyl-4-propan-2-yl-benzene Openeye Name: dichlororuthenium; (1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenyl-ethanamine; 1-isopropyl-4-methyl-benzene CAS Name: dichlororuthenium; (1S,2R)-N-diphenylphosphino-2-diphenylphosphinooxy-N-methyl-1,2-diphenylethanamine; 1-methyl-4-propan-2-ylbenzene IUPAC Name: dichlororuthenium; (1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine; 1-methyl-4-propan-2-ylbenzene Traditional Name: dichlororuthenium; diphenylphosphino-[(1S,2R)-2-diphenylphosphinooxy-1,2-diphenyl-ethyl]-methyl-amine; p-cymene Formula: C49H49Cl2NOP2Ru MolecularWeight: 901.842982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(C)C.CN([C@@H](C1=CC=CC=C1)[C@@H](C2=CC=CC=C2)OP(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6.Cl[Ru]Cl

InChI

InChI=1S/C39H35NOP2.C10H14.2ClH.Ru/c1-40(42(34-24-12-4-13-25-34)35-26-14-5-15-27-35)38(32-20-8-2-9-21-32)39(33-22-10-3-11-23-33)41-43(36-28-16-6-17-29-36)37-30-18-7-19-31-37;1-8(2)10-6-4-9(3)5-7-10;;;/h2-31,38-39H,1H3;4-8H,1-3H3;2*1H;/q;;;;+2/p-2/t38-,39+;;;;/m0..../s1