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

Systemtic Name: calcium 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one hydrate Openeye Name: calcium 1,1-dioxo-1,2-benzothiazol-3-one hydrate CAS Name: calcium 1,1-dioxo-1,2-benzothiazol-3-one hydrate IUPAC Name: calcium 1,1-dioxo-1,2-benzothiazol-3-one hydrate Traditional Name: calcium 1,1-diketo-1,2-benzothiazol-3-one hydrate Formula: C7H7CaNO4S+2 MolecularWeight: 241.27778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5NO3S.Ca.H2O/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h1-4H,(H,8,9);;1H2/q;+2;