oxolane; 1,1,2,2-tetraphenylethane-1,2-diol; ytterbium(2+); tetraisothiocyanate

Systemtic Name: oxolane; 1,1,2,2-tetraphenylethane-1,2-diol; ytterbium(2+); tetraisothiocyanate Openeye Name: tetrahydrofuran; 1,1,2,2-tetraphenylethane-1,2-diol; ytterbium(2+); tetraisothiocyanate CAS Name: oxolane; 1,1,2,2-tetraphenylethane-1,2-diol; ytterbium(2+); tetraisothiocyanate IUPAC Name: oxolane; 1,1,2,2-tetraphenylethane-1,2-diol; ytterbium(2+); tetraisothiocyanate Traditional Name: tetrahydrofuran; 1,1,2,2-tetraphenylethane-1,2-diol; ytterbium(2+); tetraisothiocyanate Formula: C54H70N4O8S4Yb2 MolecularWeight: 1377.4956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.[Yb+2].[Yb+2]

Isomeric SMILES

C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.[Yb+2].[Yb+2]

InChI

InChI=1S/C26H22O2.6C4H8O.4CNS.2Yb/c27-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(28,23-17-9-3-10-18-23)24-19-11-4-12-20-24;6*1-2-4-5-3-1;4*2-1-3;;/h1-20,27-28H;6*1-4H2;;;;;;/q;;;;;;;4*-1;2*+2