disodium 3-[6-oxidanylidene-3-(3-sulfonatopropoxy)pyridazin-1-yl]propane-1-sulfonate

Systemtic Name: disodium 3-[6-oxidanylidene-3-(3-sulfonatopropoxy)pyridazin-1-yl]propane-1-sulfonate Openeye Name: disodium 3-[6-oxo-3-(3-sulfonatopropoxy)pyridazin-1-yl]propane-1-sulfonate CAS Name: disodium 3-[6-oxo-3-(3-sulfonatopropoxy)-1-pyridazinyl]-1-propanesulfonate IUPAC Name: disodium 3-[6-oxo-3-(3-sulfonatopropoxy)pyridazin-1-yl]propane-1-sulfonate Traditional Name: disodium 3-[6-keto-3-(3-sulfonatopropoxy)pyridazin-1-yl]propane-1-sulfonate Formula: C10H14N2Na2O8S2 MolecularWeight: 400.3363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)N(N=C1OCCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=O)N(N=C1OCCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C10H16N2O8S2.2Na/c13-10-4-3-9(20-6-2-8-22(17,18)19)11-12(10)5-1-7-21(14,15)16;;/h3-4H,1-2,5-8H2,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2