sodium 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate hydrate

Systemtic Name: sodium 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate hydrate Openeye Name: sodium 1,1-dioxo-1,2-benzothiazol-3-olate hydrate CAS Name: sodium 1,1-dioxo-1,2-benzothiazol-3-olate hydrate IUPAC Name: sodium 1,1-dioxo-1,2-benzothiazol-3-olate hydrate Traditional Name: sodium 1,1-diketo-1,2-benzothiazol-3-olate hydrate Formula: C7H6NNaO4S MolecularWeight: 223.18161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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