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

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; dihydrogen phosphate Openeye Name: dihydrogen phosphate; 1,1-dioxo-1,2-benzothiazol-3-olate CAS Name: dihydrogen phosphate; 1,1-dioxo-1,2-benzothiazol-3-olate IUPAC Name: dihydrogen phosphate; 1,1-dioxo-1,2-benzothiazol-3-olate Traditional Name: dihydrogen phosphate; 1,1-diketo-1,2-benzothiazol-3-olate Formula: C7H6NO7PS-2 MolecularWeight: 279.163801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5NO3S.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)/p-2