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

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one dihydrate Openeye Name: 1,1-dioxo-1,2-benzothiazol-3-one dihydrate CAS Name: 1,1-dioxo-1,2-benzothiazol-3-one dihydrate IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-one dihydrate Traditional Name: 1,1-diketo-1,2-benzothiazol-3-one dihydrate Formula: C7H9NO5S MolecularWeight: 219.21506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NS2(=O)=O.O.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NS2(=O)=O.O.O

InChI

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