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

Systemtic Name: calcium 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: calcium 1,1-dioxo-1,2-benzothiazol-3-one CAS Name: calcium 1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: calcium 1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: calcium 1,1-diketo-1,2-benzothiazol-3-one Formula: C7H5CaNO3S+2 MolecularWeight: 223.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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