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

Systemtic Name: (6-chloranylpyridazin-4-yl) 3-(2-cyclopropylphenoxy)propane-1-sulfonate Openeye Name: (6-chloropyridazin-4-yl) 3-(2-cyclopropylphenoxy)propane-1-sulfonate CAS Name: 3-(2-cyclopropylphenoxy)-1-propanesulfonic acid IUPAC Name: (6-chloropyridazin-4-yl) 3-(2-cyclopropylphenoxy)propane-1-sulfonate Traditional Name: 3-(2-cyclopropylphenoxy)propane-1-sulfonic acid (6-chloropyridazin-4-yl) ester Formula: C16H17ClN2O4S MolecularWeight: 368.83518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC=CC=C2OCCCS(=O)(=O)OC3=CC(=NN=C3)Cl

Isomeric SMILES

C1CC1C2=CC=CC=C2OCCCS(=O)(=O)OC3=CC(=NN=C3)Cl

InChI

InChI=1S/C16H17ClN2O4S/c17-16-10-13(11-18-19-16)23-24(20,21)9-3-8-22-15-5-2-1-4-14(15)12-6-7-12/h1-2,4-5,10-12H,3,6-9H2