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

Systemtic Name: sodium 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate dihydrate Openeye Name: sodium 1,1-dioxo-1,2-benzothiazol-3-olate dihydrate CAS Name: sodium 1,1-dioxo-1,2-benzothiazol-3-olate dihydrate IUPAC Name: sodium 1,1-dioxo-1,2-benzothiazol-3-olate dihydrate Traditional Name: sodium 1,1-diketo-1,2-benzothiazol-3-olate dihydrate Formula: C7H8NNaO5S MolecularWeight: 241.19689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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