benzenethiolate; methylcyclopentane; oxolane; samarium(3+)

Systemtic Name: benzenethiolate; methylcyclopentane; oxolane; samarium(3+) Openeye Name: benzenethiolate; methylcyclopentane; samarium(3+); tetrahydrofuran CAS Name: benzenethiolate; methylcyclopentane; oxolane; samarium(3+) IUPAC Name: benzenethiolate; methylcyclopentane; oxolane; samarium(3+) Traditional Name: benzenethiolate; methylcyclopentane; samarium(3+); tetrahydrofuran Formula: C44H54O2S2Sm2+4 MolecularWeight: 979.74836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H6S.4C6H7.2C4H8O.2Sm/c2*7-6-4-2-1-3-5-6;4*1-6-4-2-3-5-6;2*1-2-4-5-3-1;;/h2*1-5,7H;4*2-5H,1H3;2*1-4H2;;/q;;;;;;;;2*+3/p-2