1,3-benzothiazole-2-thiolate; zirconium(4+)

Systemtic Name: 1,3-benzothiazole-2-thiolate; zirconium(4+) Openeye Name: 1,3-benzothiazole-2-thiolate; zirconium(4+) CAS Name: 1,3-benzothiazole-2-thiolate; zirconium(4+) IUPAC Name: 1,3-benzothiazole-2-thiolate; zirconium(4+) Traditional Name: 1,3-benzothiazole-2-thiolate; zirconium(4+) Formula: C28H16N4S8Zr MolecularWeight: 756.19744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Zr+4]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Zr+4]

InChI

InChI=1S/4C7H5NS2.Zr/c4*9-7-8-5-3-1-2-4-6(5)10-7;/h4*1-4H,(H,8,9);/q;;;;+4/p-4