cyclopentane; oxolane; N-phenylcarbazole-9-carboximidothioate; ytterbium(3+)

Systemtic Name: cyclopentane; oxolane; N-phenylcarbazole-9-carboximidothioate; ytterbium(3+) Openeye Name: cyclopentane; N-phenylcarbazole-9-carboximidothioate; tetrahydrofuran; ytterbium(3+) CAS Name: cyclopentane; oxolane; N-phenyl-9-carbazolecarboximidothioate; ytterbium(3+) IUPAC Name: cyclopentane; oxolane; N-phenylcarbazole-9-carboximidothioate; ytterbium(3+) Traditional Name: cyclopentane; N-phenylcarbazole-9-carboximidothioate; tetrahydrofuran; ytterbium(3+) Formula: C47H39N4OS2Yb+ MolecularWeight: 913.00876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC1.C1=CC=C(C=C1)N=C(N2C3=CC=CC=C3C4=CC=CC=C42)[S-].C1=CC=C(C=C1)N=C(N2C3=CC=CC=C3C4=CC=CC=C42)[S-].[CH]1[CH][CH][CH][CH]1.[Yb+3]

Isomeric SMILES

C1CCOC1.C1=CC=C(C=C1)N=C(N2C3=CC=CC=C3C4=CC=CC=C42)[S-].C1=CC=C(C=C1)N=C(N2C3=CC=CC=C3C4=CC=CC=C42)[S-].[CH]1[CH][CH][CH][CH]1.[Yb+3]

InChI

InChI=1S/2C19H14N2S.C5H5.C4H8O.Yb/c2*22-19(20-14-8-2-1-3-9-14)21-17-12-6-4-10-15(17)16-11-5-7-13-18(16)21;2*1-2-4-5-3-1;/h2*1-13H,(H,20,22);1-5H;1-4H2;/q;;;;+3/p-2