chloranylruthenium(1+); diphenyl(pyridin-2-yl)phosphane; 1-methyl-4-propan-2-yl-benzene; tetrafluoroborate

Systemtic Name: chloranylruthenium(1+); diphenyl(pyridin-2-yl)phosphane; 1-methyl-4-propan-2-yl-benzene; tetrafluoroborate Openeye Name: chlororuthenium(1+); diphenyl(2-pyridyl)phosphane; 1-isopropyl-4-methyl-benzene; tetrafluoroborate CAS Name: chlororuthenium(1+); diphenyl(2-pyridinyl)phosphine; 1-methyl-4-propan-2-ylbenzene; tetrafluoroborate IUPAC Name: chlororuthenium(1+); diphenyl(pyridin-2-yl)phosphane; 1-methyl-4-propan-2-ylbenzene; tetrafluoroborate Traditional Name: chlororuthenium(1+); diphenyl(2-pyridyl)phosphine; p-cymene; tetrafluoroborate Formula: C27H28BClF4NPRu MolecularWeight: 620.819294

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=N3.Cl[Ru+]

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=N3.Cl[Ru+]

InChI

InChI=1S/C17H14NP.C10H14.BF4.ClH.Ru/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;1-8(2)10-6-4-9(3)5-7-10;2-1(3,4)5;;/h1-14H;4-8H,1-3H3;;1H;/q;;-1;;+2/p-1