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

Systemtic Name: chloranylruthenium(1+); 2-ethylcyclopenta-1,3-diene; triphenylphosphane Openeye Name: chlororuthenium(1+); 2-ethylcyclopenta-1,3-diene; triphenylphosphane CAS Name: chlororuthenium(1+); 2-ethylcyclopenta-1,3-diene; triphenylphosphine IUPAC Name: chlororuthenium(1+); 2-ethylcyclopenta-1,3-diene; triphenylphosphane Traditional Name: chlororuthenium(1+); 2-ethylcyclopenta-1,3-diene; triphenylphosphine Formula: C43H39ClP2Ru MolecularWeight: 754.240282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[C-]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.Cl[Ru+]

Isomeric SMILES

CCC1=[C-]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.Cl[Ru+]

InChI

InChI=1S/2C18H15P.C7H9.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;1-2-7-5-3-4-6-7;;/h2*1-15H;3,5H,2,4H2,1H3;1H;/q;;-1;;+2/p-1