tert-butyl hydrogen carbonate; cyclopentane; propylbenzene; ruthenium(3+); hexafluorophosphate

Systemtic Name: tert-butyl hydrogen carbonate; cyclopentane; propylbenzene; ruthenium(3+); hexafluorophosphate Openeye Name: tert-butyl hydrogen carbonate; cyclopentane; propylbenzene; ruthenium(3+); hexafluorophosphate CAS Name: carbonic acid tert-butyl ester; cyclopentane; propylbenzene; ruthenium(3+); hexafluorophosphate IUPAC Name: tert-butyl hydrogen carbonate; cyclopentane; propylbenzene; ruthenium(3+); hexafluorophosphate Traditional Name: carbonic acid tert-butyl ester; cyclopentane; propylbenzene; ruthenium(3+); hexafluorophosphate Formula: C19H24F6O3PRu+2 MolecularWeight: 546.42624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)O.[CH2][CH][CH]C1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Ru+3]

Isomeric SMILES

CC(C)(C)OC(=O)O.[CH2][CH][CH]C1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Ru+3]

InChI

InChI=1S/C9H9.C5H10O3.C5H5.F6P.Ru/c1-2-6-9-7-4-3-5-8-9;1-5(2,3)8-4(6)7;1-2-4-5-3-1;1-7(2,3,4,5)6;/h2-8H,1H2;1-3H3,(H,6,7);1-5H;;/q;;;-1;+3