sodium 3-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)oxypropane-1-sulfonate

Systemtic Name: sodium 3-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)oxypropane-1-sulfonate Openeye Name: sodium 3-(6-oxo-1-phenyl-pyridazin-3-yl)oxypropane-1-sulfonate CAS Name: sodium 3-[(6-oxo-1-phenyl-3-pyridazinyl)oxy]-1-propanesulfonate IUPAC Name: sodium 3-(6-oxo-1-phenylpyridazin-3-yl)oxypropane-1-sulfonate Traditional Name: sodium 3-(6-keto-1-phenyl-pyridazin-3-yl)oxypropane-1-sulfonate Formula: C13H13N2NaO5S MolecularWeight: 332.30749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C=CC(=N2)OCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C=CC(=N2)OCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H14N2O5S.Na/c16-13-8-7-12(20-9-4-10-21(17,18)19)14-15(13)11-5-2-1-3-6-11;/h1-3,5-8H,4,9-10H2,(H,17,18,19);/q;+1/p-1