1-(cyclohepten-1-yl)ethenyl-triphenyl-phosphanium; indene; ruthenium(2+); triphenylphosphane; hexafluorophosphate

Systemtic Name: 1-(cyclohepten-1-yl)ethenyl-triphenyl-phosphanium; indene; ruthenium(2+); triphenylphosphane; hexafluorophosphate Openeye Name: 1-(cyclohepten-1-yl)vinyl-triphenyl-phosphonium; indene; ruthenium(2+); triphenylphosphane; hexafluorophosphate CAS Name: 1-(1-cycloheptenyl)ethenyl-triphenylphosphonium; indene; ruthenium(2+); triphenylphosphine; hexafluorophosphate IUPAC Name: 1-(cyclohepten-1-yl)ethenyl-triphenylphosphanium; indene; ruthenium(2+); triphenylphosphane; hexafluorophosphate Traditional Name: 1-(cyclohepten-1-yl)vinyl-triphenyl-phosphonium; indene; ruthenium(2+); triphenylphosphine; hexafluorophosphate Formula: C72H64F6P4Ru+ MolecularWeight: 1268.234023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH-]=C(C1=CCCCCC1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.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.C1=C[C]2[CH][CH][CH][C]2C=C1.F[P-](F)(F)(F)(F)F.[Ru+2]

Isomeric SMILES

[CH-]=C(C1=CCCCCC1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.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.C1=C[C]2[CH][CH][CH][C]2C=C1.F[P-](F)(F)(F)(F)F.[Ru+2]

InChI

InChI=1S/C27H27P.2C18H15P.C9H7.F6P.Ru/c1-23(24-15-7-2-3-8-16-24)28(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-9-7-3-6-8(9)4-1;1-7(2,3,4,5)6;/h1,4-6,9-15,17-22H,2-3,7-8,16H2;2*1-15H;1-7H;;/q;;;;-1;+2