(Z)-2-diazonio-1-[2-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]ethenolate

Systemtic Name: (Z)-2-diazonio-1-[2-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]ethenolate Openeye Name: (Z)-2-diazonio-1-[2-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]ethenolate CAS Name: (Z)-2-diazonio-1-[2-(3-hydroxy-3-methylbut-1-ynyl)phenyl]ethenolate IUPAC Name: (Z)-2-diazonio-1-[2-(3-hydroxy-3-methylbut-1-ynyl)phenyl]ethenolate Traditional Name: (Z)-2-diazonio-1-[2-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]ethenolate Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=CC=C1C(=C[N+]#N)[O-])O

Isomeric SMILES

CC(C)(C#CC1=CC=CC=C1/C(=C/[N+]#N)/[O-])O

InChI

InChI=1S/C13H12N2O2/c1-13(2,17)8-7-10-5-3-4-6-11(10)12(16)9-15-14/h3-6,9,17H,1-2H3/b12-9-