2-azanylbenzenethiolate; cyclopentane; oxolane; ytterbium(3+)

Systemtic Name: 2-azanylbenzenethiolate; cyclopentane; oxolane; ytterbium(3+) Openeye Name: 2-aminobenzenethiolate; cyclopentane; tetrahydrofuran; ytterbium(3+) CAS Name: 2-aminobenzenethiolate; cyclopentane; oxolane; ytterbium(3+) IUPAC Name: 2-aminobenzenethiolate; cyclopentane; oxolane; ytterbium(3+) Traditional Name: 2-aminobenzenethiolate; cyclopentane; tetrahydrofuran; ytterbium(3+) Formula: C40H48N2O2S2Yb2+4 MolecularWeight: 999.03132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H7NS.4C5H5.2C4H8O.2Yb/c2*7-5-3-1-2-4-6(5)8;6*1-2-4-5-3-1;;/h2*1-4,8H,7H2;4*1-5H;2*1-4H2;;/q;;;;;;;;2*+3/p-2