calcium 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one difluoride

Systemtic Name: calcium 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one difluoride Openeye Name: calcium 1,1-dioxo-1,2-benzothiazol-3-one difluoride CAS Name: calcium 1,1-dioxo-1,2-benzothiazol-3-one difluoride IUPAC Name: calcium 1,1-dioxo-1,2-benzothiazol-3-one difluoride Traditional Name: calcium 1,1-diketo-1,2-benzothiazol-3-one difluoride Formula: C7H5CaF2NO3S MolecularWeight: 261.259306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NS2(=O)=O.[F-].[F-].[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NS2(=O)=O.[F-].[F-].[Ca+2]

InChI

InChI=1S/C7H5NO3S.Ca.2FH/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;/h1-4H,(H,8,9);;2*1H/q;+2;;/p-2