3H-1,3-benzothiazol-2-one; cyclopentane; oxolane; ytterbium(2+)

Systemtic Name: 3H-1,3-benzothiazol-2-one; cyclopentane; oxolane; ytterbium(2+) Openeye Name: 3H-1,3-benzothiazol-2-one; cyclopentane; tetrahydrofuran; ytterbium(2+) CAS Name: 3H-1,3-benzothiazol-2-one; cyclopentane; oxolane; ytterbium(2+) IUPAC Name: 3H-1,3-benzothiazol-2-one; cyclopentane; oxolane; ytterbium(2+) Traditional Name: 3H-1,3-benzothiazol-2-one; cyclopentane; tetrahydrofuran; ytterbium(2+) Formula: C42H46N2O4S2Yb2+4 MolecularWeight: 1053.03564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC1.C1CCOC1.C1=CC=C2C(=C1)NC(=O)S2.C1=CC=C2C(=C1)NC(=O)S2.[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+2].[Yb+2]

Isomeric SMILES

C1CCOC1.C1CCOC1.C1=CC=C2C(=C1)NC(=O)S2.C1=CC=C2C(=C1)NC(=O)S2.[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+2].[Yb+2]

InChI

InChI=1S/2C7H5NOS.4C5H5.2C4H8O.2Yb/c2*9-7-8-5-3-1-2-4-6(5)10-7;6*1-2-4-5-3-1;;/h2*1-4H,(H,8,9);4*1-5H;2*1-4H2;;/q;;;;;;;;2*+2