6-chloranyl-3-(2-cyclopropyl-3,5,6-trimethyl-phenoxy)-1-oxidanidyl-pyridazin-1-ium

Systemtic Name: 6-chloranyl-3-(2-cyclopropyl-3,5,6-trimethyl-phenoxy)-1-oxidanidyl-pyridazin-1-ium Openeye Name: 6-chloro-3-(2-cyclopropyl-3,5,6-trimethyl-phenoxy)-1-oxido-pyridazin-1-ium CAS Name: 6-chloro-3-(2-cyclopropyl-3,5,6-trimethylphenoxy)-1-oxidopyridazin-1-ium IUPAC Name: 6-chloro-3-(2-cyclopropyl-3,5,6-trimethylphenoxy)-1-oxidopyridazin-1-ium Traditional Name: 6-chloro-3-(2-cyclopropyl-3,5,6-trimethyl-phenoxy)-1-oxido-pyridazin-1-ium Formula: C16H17ClN2O2 MolecularWeight: 304.77138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C2CC2)OC3=N[N+](=C(C=C3)Cl)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C2CC2)OC3=N[N+](=C(C=C3)Cl)[O-])C)C

InChI

InChI=1S/C16H17ClN2O2/c1-9-8-10(2)15(12-4-5-12)16(11(9)3)21-14-7-6-13(17)19(20)18-14/h6-8,12H,4-5H2,1-3H3