dicalcium 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate phosphate

Systemtic Name: dicalcium 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate phosphate Openeye Name: dicalcium 1,1-dioxo-1,2-benzothiazol-3-olate phosphate CAS Name: dicalcium 1,1-dioxo-1,2-benzothiazol-3-olate phosphate IUPAC Name: dicalcium 1,1-dioxo-1,2-benzothiazol-3-olate phosphate Traditional Name: dicalcium 1,1-diketo-1,2-benzothiazol-3-olate phosphate Formula: C7H4Ca2NO7PS MolecularWeight: 357.303921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5NO3S.2Ca.H3O4P/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;1-5(2,3)4/h1-4H,(H,8,9);;;(H3,1,2,3,4)/q;2*+2;/p-4