[6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] propane-2-sulfonate

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] propane-2-sulfonate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NN=C(C=C2OS(=O)(=O)C(C)C)Cl)C3CC3

Isomeric SMILES

CC1=CC=CC(=C1OC2=NN=C(C=C2OS(=O)(=O)C(C)C)Cl)C3CC3

InChI

InChI=1S/C17H19ClN2O4S/c1-10(2)25(21,22)24-14-9-15(18)19-20-17(14)23-16-11(3)5-4-6-13(16)12-7-8-12/h4-6,9-10,12H,7-8H2,1-3H3