2-tert-butyl-4-chloranyl-5-[2-(4-chlorophenyl)-2-oxidanylidene-ethoxy]-4H-pyridazin-2-ium-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[2-(4-chlorophenyl)-2-oxidanylidene-ethoxy]-4H-pyridazin-2-ium-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[2-(4-chlorophenyl)-2-oxo-ethoxy]-4H-pyridazin-2-ium-3-one CAS Name: 2-tert-butyl-4-chloro-5-[2-(4-chlorophenyl)-2-oxoethoxy]-4H-pyridazin-2-ium-3-one IUPAC Name: 2-tert-butyl-4-chloro-5-[2-(4-chlorophenyl)-2-oxoethoxy]-4H-pyridazin-2-ium-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[2-(4-chlorophenyl)-2-keto-ethoxy]-4H-pyridazin-2-ium-3-one Formula: C16H17Cl2N2O3+ MolecularWeight: 356.22378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)OCC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)OCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H17Cl2N2O3/c1-16(2,3)20-15(22)14(18)13(8-19-20)23-9-12(21)10-4-6-11(17)7-5-10/h4-8,14H,9H2,1-3H3/q+1