(6-chloranylpyridazin-4-yl) 3-(2-methylphenoxy)propane-1-sulfonate

Systemtic Name: (6-chloranylpyridazin-4-yl) 3-(2-methylphenoxy)propane-1-sulfonate Openeye Name: (6-chloropyridazin-4-yl) 3-(2-methylphenoxy)propane-1-sulfonate CAS Name: 3-(2-methylphenoxy)-1-propanesulfonic acid IUPAC Name: (6-chloropyridazin-4-yl) 3-(2-methylphenoxy)propane-1-sulfonate Traditional Name: 3-(2-methylphenoxy)propane-1-sulfonic acid (6-chloropyridazin-4-yl) ester Formula: C14H15ClN2O4S MolecularWeight: 342.7979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCS(=O)(=O)OC2=CC(=NN=C2)Cl

Isomeric SMILES

CC1=CC=CC=C1OCCCS(=O)(=O)OC2=CC(=NN=C2)Cl

InChI

InChI=1S/C14H15ClN2O4S/c1-11-5-2-3-6-13(11)20-7-4-8-22(18,19)21-12-9-14(15)17-16-10-12/h2-3,5-6,9-10H,4,7-8H2,1H3