1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; iron(3+)

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; iron(3+) Openeye Name: ferric 1,1-dioxo-1,2-benzothiazol-3-olate CAS Name: 1,1-dioxo-1,2-benzothiazol-3-olate; iron(3+) IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-olate; iron(3+) Traditional Name: ferric 1,1-diketo-1,2-benzothiazol-3-olate Formula: C21H12FeN3O9S3 MolecularWeight: 602.37468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].[Fe+3]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].[Fe+3]

InChI

InChI=1S/3C7H5NO3S.Fe/c3*9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h3*1-4H,(H,8,9);/q;;;+3/p-3