cyclopentane; phenylmethanethiolate; zirconium(4+)

Systemtic Name: cyclopentane; phenylmethanethiolate; zirconium(4+) Openeye Name: cyclopentane; phenylmethanethiolate; zirconium(4+) CAS Name: cyclopentane; phenylmethanethiolate; zirconium(4+) IUPAC Name: cyclopentane; phenylmethanethiolate; zirconium(4+) Traditional Name: cyclopentane; phenylmethanethiolate; zirconium(4+) Formula: C24H24S2Zr+2 MolecularWeight: 467.80136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H8S.2C5H5.Zr/c2*8-6-7-4-2-1-3-5-7;2*1-2-4-5-3-1;/h2*1-5,8H,6H2;2*1-5H;/q;;;;+4/p-2