benzenethiolate; cyclopentane; indene; zirconium(4+)

Systemtic Name: benzenethiolate; cyclopentane; indene; zirconium(4+) Openeye Name: benzenethiolate; cyclopentane; indene; zirconium(4+) CAS Name: benzenethiolate; cyclopentane; indene; zirconium(4+) IUPAC Name: benzenethiolate; cyclopentane; indene; zirconium(4+) Traditional Name: benzenethiolate; cyclopentane; indene; zirconium(4+) Formula: C26H22S2Zr+2 MolecularWeight: 489.80688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=C[C]2[CH][CH][CH][C]2C=C1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

Isomeric SMILES

C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=C[C]2[CH][CH][CH][C]2C=C1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

InChI

InChI=1S/C9H7.2C6H6S.C5H5.Zr/c1-2-5-9-7-3-6-8(9)4-1;2*7-6-4-2-1-3-5-6;1-2-4-5-3-1;/h1-7H;2*1-5,7H;1-5H;/q;;;;+4/p-2