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

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

Systemtic Name:zinc 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate hydrate
Openeye Name:zinc 1,1-dioxo-1,2-benzothiazol-3-olate hydrate
CAS Name:zinc 1,1-dioxo-1,2-benzothiazol-3-olate hydrate
IUPAC Name:zinc 1,1-dioxo-1,2-benzothiazol-3-olate hydrate
Traditional Name:zinc 1,1-diketo-1,2-benzothiazol-3-olate hydrate
Formula: C14H10N2O7S2Zn
MolecularWeight: 447.7774
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C7H5NO3S.H2O.Zn/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h2*1-4H,(H,8,9);1H2;/q;;;+2/p-2


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