(1R,2R)-cyclohexane-1,2-diamine; ethynylbenzene; ruthenium(1+); triphenylphosphane

Systemtic Name: (1R,2R)-cyclohexane-1,2-diamine; ethynylbenzene; ruthenium(1+); triphenylphosphane Openeye Name: (1R,2R)-cyclohexane-1,2-diamine; ethynylbenzene; ruthenium(1+); triphenylphosphane CAS Name: (1R,2R)-cyclohexane-1,2-diamine; ethynylbenzene; ruthenium(1+); triphenylphosphine IUPAC Name: (1R,2R)-cyclohexane-1,2-diamine; ethynylbenzene; ruthenium(1+); triphenylphosphane Traditional Name: [(1R,2R)-2-aminocyclohexyl]amine; ethynylbenzene; ruthenium(1+); triphenylphosphine Formula: C50H49N2P2Ru MolecularWeight: 840.954982

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#CC1=CC=CC=C1.C1CCC(C(C1)N)N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ru+]

Isomeric SMILES

[C-]#CC1=CC=CC=C1.C1CC[C@H]([C@@H](C1)N)N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ru+]

InChI

InChI=1S/2C18H15P.C8H5.C6H14N2.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-6-4-3-5-7-8;7-5-3-1-2-4-6(5)8;/h2*1-15H;3-7H;5-6H,1-4,7-8H2;/q;;-1;;+1/t;;;5-,6-;/m...1./s1