benzene; bromanylruthenium(1+); 1-methyl-4-propan-2-yl-benzene; triphenylphosphane

Systemtic Name: benzene; bromanylruthenium(1+); 1-methyl-4-propan-2-yl-benzene; triphenylphosphane Openeye Name: benzene; bromoruthenium(1+); 1-isopropyl-4-methyl-benzene; triphenylphosphane CAS Name: benzene; bromoruthenium(1+); 1-methyl-4-propan-2-ylbenzene; triphenylphosphine IUPAC Name: benzene; bromoruthenium(1+); 1-methyl-4-propan-2-ylbenzene; triphenylphosphane Traditional Name: benzene; bromoruthenium(1+); p-cymene; triphenylphosphine Formula: C34H34BrPRu MolecularWeight: 654.581521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15P.C10H14.C6H5.BrH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)10-6-4-9(3)5-7-10;1-2-4-6-5-3-1;;/h1-15H;4-8H,1-3H3;1-5H;1H;/q;;-1;;+2/p-1