cyclopentane; 2-methylpropane-2-thiolate; oxane; tetraphenylboranuide; zirconium(2+)

Systemtic Name: cyclopentane; 2-methylpropane-2-thiolate; oxane; tetraphenylboranuide; zirconium(2+) Openeye Name: cyclopentane; 2-methylpropane-2-thiolate; tetrahydropyran; tetraphenylboranuide; zirconium(2+) CAS Name: cyclopentane; 2-methyl-2-propanethiolate; oxane; tetraphenylboranuide; zirconium(2+) IUPAC Name: cyclopentane; 2-methylpropane-2-thiolate; oxane; tetraphenylboranuide; zirconium(2+) Traditional Name: cyclopentane; 2-methylpropane-2-thiolate; tetrahydropyran; tetraphenylboranuide; zirconium(2+) Formula: C43H49BOSZr MolecularWeight: 715.94856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(C)(C)[S-].C1CCOCC1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(C)(C)[S-].C1CCOCC1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]

InChI

InChI=1S/C24H20B.C5H10O.2C5H5.C4H10S.Zr/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-4(2,3)5;/h1-20H;1-5H2;2*1-5H;5H,1-3H3;/q-1;;;;;+2/p-1