zinc 2,2-bis(oxidanylidene)-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-4-olate dihydrate

Systemtic Name: zinc 2,2-bis(oxidanylidene)-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-4-olate dihydrate Openeye Name: zinc 3-isopropyl-2,2-dioxo-2$l^{6},1,3-benzothiadiazin-4-olate dihydrate CAS Name: zinc 2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-4-olate dihydrate IUPAC Name: zinc 2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-4-olate dihydrate Traditional Name: zinc 3-isopropyl-2,2-diketo-2$l^{6},1,3-benzothiadiazin-4-olate dihydrate Formula: C20H26N4O8S2Zn MolecularWeight: 579.98144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C2C=CC=CC2=NS1(=O)=O)[O-].CC(C)N1C(=C2C=CC=CC2=NS1(=O)=O)[O-].O.O.[Zn+2]

Isomeric SMILES

CC(C)N1C(=C2C=CC=CC2=NS1(=O)=O)[O-].CC(C)N1C(=C2C=CC=CC2=NS1(=O)=O)[O-].O.O.[Zn+2]

InChI

InChI=1S/2C10H12N2O3S.2H2O.Zn/c2*1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;;;/h2*3-7,13H,1-2H3;2*1H2;/q;;;;+2/p-2