sodium 1,1-bis(oxidanylidene)-1,2-benzothiazol-2-id-3-one trihydrate

Systemtic Name: sodium 1,1-bis(oxidanylidene)-1,2-benzothiazol-2-id-3-one trihydrate Openeye Name: sodium 1,1-dioxo-1,2-benzothiazol-2-id-3-one trihydrate CAS Name: sodium 1,1-dioxo-1,2-benzothiazol-2-id-3-one trihydrate IUPAC Name: sodium 1,1-dioxo-1,2-benzothiazol-2-id-3-one trihydrate Traditional Name: sodium 1,1-diketo-1,2-benzothiazol-2-id-3-one trihydrate Formula: C7H10NNaO6S MolecularWeight: 259.21217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.O.O.O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.O.O.O.[Na+]

InChI

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