chloranylruthenium(1+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; triphenylphosphane

Systemtic Name: chloranylruthenium(1+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; triphenylphosphane Openeye Name: chlororuthenium(1+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; triphenylphosphane CAS Name: chlororuthenium(1+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; triphenylphosphine IUPAC Name: chlororuthenium(1+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; triphenylphosphane Traditional Name: chlororuthenium(1+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; triphenylphosphine Formula: C46H45ClP2Ru MolecularWeight: 796.320022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(C(=C1C)C)(C)C.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

CC1=[C-]C(C(=C1C)C)(C)C.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.C10H15.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;1-7-6-10(4,5)9(3)8(7)2;;/h2*1-15H;1-5H3;1H;/q;;-1;;+2/p-1