4-[(4-methoxyphenyl)diazenyl]-2,2,3,5-tetramethyl-4H-pyrazol-2-ium-3-ol ethanoate

Systemtic Name: 4-[(4-methoxyphenyl)diazenyl]-2,2,3,5-tetramethyl-4H-pyrazol-2-ium-3-ol ethanoate Openeye Name: 4-(4-methoxyphenyl)azo-2,2,3,5-tetramethyl-4H-pyrazol-2-ium-3-ol acetate CAS Name: 4-(4-methoxyphenyl)azo-2,2,3,5-tetramethyl-4H-pyrazol-2-ium-3-ol acetate IUPAC Name: 4-[(4-methoxyphenyl)diazenyl]-2,2,3,5-tetramethyl-4H-pyrazol-2-ium-3-ol acetate Traditional Name: 4-(4-methoxyphenyl)azo-2,2,3,5-tetramethyl-2-pyrazolin-2-ium-3-ol acetate Formula: C16H24N4O4 MolecularWeight: 336.38616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](C(C1N=NC2=CC=C(C=C2)OC)(C)O)(C)C.CC(=O)[O-]

Isomeric SMILES

CC1=N[N+](C(C1N=NC2=CC=C(C=C2)OC)(C)O)(C)C.CC(=O)[O-]

InChI

InChI=1S/C14H21N4O2.C2H4O2/c1-10-13(14(2,19)18(3,4)17-10)16-15-11-6-8-12(20-5)9-7-11;1-2(3)4/h6-9,13,19H,1-5H3;1H3,(H,3,4)/q+1;/p-1