cyclopentane; ethynylbenzene; ruthenium(2+); triphenylphosphane

Systemtic Name: cyclopentane; ethynylbenzene; ruthenium(2+); triphenylphosphane Openeye Name: cyclopentane; ethynylbenzene; ruthenium(2+); triphenylphosphane CAS Name: cyclopentane; ethynylbenzene; ruthenium(2+); triphenylphosphine IUPAC Name: cyclopentane; ethynylbenzene; ruthenium(2+); triphenylphosphane Traditional Name: cyclopentane; ethynylbenzene; ruthenium(2+); triphenylphosphine Formula: C49H40P2Ru+ MolecularWeight: 791.859422

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#CC1=CC=CC=C1.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.[CH]1[CH][CH][CH][CH]1.[Ru+2]

Isomeric SMILES

[C-]#CC1=CC=CC=C1.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.[CH]1[CH][CH][CH][CH]1.[Ru+2]

InChI

InChI=1S/2C18H15P.C8H5.C5H5.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;1-2-4-5-3-1;/h2*1-15H;3-7H;1-5H;/q;;-1;;+2