chloranylruthenium(1+); 2-cyclopentyl-4-phenyl-but-3-yn-2-ol; triphenylphosphane

Systemtic Name: chloranylruthenium(1+); 2-cyclopentyl-4-phenyl-but-3-yn-2-ol; triphenylphosphane Openeye Name: chlororuthenium(1+); 2-cyclopentyl-4-phenyl-but-3-yn-2-ol; triphenylphosphane CAS Name: chlororuthenium(1+); 2-cyclopentyl-4-phenyl-3-butyn-2-ol; triphenylphosphine IUPAC Name: chlororuthenium(1+); 2-cyclopentyl-4-phenylbut-3-yn-2-ol; triphenylphosphane Traditional Name: chlororuthenium(1+); 2-cyclopentyl-4-phenyl-but-3-yn-2-ol; triphenylphosphine Formula: C51H43ClOP2Ru+ MolecularWeight: 870.357042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC=CC=C1)([C]2[CH][CH][CH][CH]2)O.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.Cl[Ru+]

Isomeric SMILES

CC(C#CC1=CC=CC=C1)([C]2[CH][CH][CH][CH]2)O.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.Cl[Ru+]

InChI

InChI=1S/2C18H15P.C15H13O.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(16,14-9-5-6-10-14)12-11-13-7-3-2-4-8-13;;/h2*1-15H;2-10,16H,1H3;1H;/q;;;;+2/p-1