(6-chloranylpyridazin-4-yl) 3-(2-cyclopropyl-6-methyl-phenoxy)propane-1-sulfonate

Systemtic Name: (6-chloranylpyridazin-4-yl) 3-(2-cyclopropyl-6-methyl-phenoxy)propane-1-sulfonate Openeye Name: (6-chloropyridazin-4-yl) 3-(2-cyclopropyl-6-methyl-phenoxy)propane-1-sulfonate CAS Name: 3-(2-cyclopropyl-6-methylphenoxy)-1-propanesulfonic acid IUPAC Name: (6-chloropyridazin-4-yl) 3-(2-cyclopropyl-6-methylphenoxy)propane-1-sulfonate Traditional Name: 3-(2-cyclopropyl-6-methyl-phenoxy)propane-1-sulfonic acid (6-chloropyridazin-4-yl) ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OCCCS(=O)(=O)OC2=CC(=NN=C2)Cl)C3CC3

Isomeric SMILES

CC1=CC=CC(=C1OCCCS(=O)(=O)OC2=CC(=NN=C2)Cl)C3CC3

InChI

InChI=1S/C17H19ClN2O4S/c1-12-4-2-5-15(13-6-7-13)17(12)23-8-3-9-25(21,22)24-14-10-16(18)20-19-11-14/h2,4-5,10-11,13H,3,6-9H2,1H3