2-[(E)-2-(4-methylphenyl)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzenediazonium tetrafluoroborate

Systemtic Name: 2-[(E)-2-(4-methylphenyl)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzenediazonium tetrafluoroborate Openeye Name: 2-[(E)-3-hydroxy-3-oxo-2-(p-tolyl)prop-1-enyl]benzenediazonium tetrafluoroborate CAS Name: 2-[(E)-3-hydroxy-2-(4-methylphenyl)-3-oxoprop-1-enyl]benzenediazonium tetrafluoroborate IUPAC Name: 2-[(E)-3-hydroxy-2-(4-methylphenyl)-3-oxoprop-1-enyl]benzenediazonium tetrafluoroborate Traditional Name: 2-[(E)-3-hydroxy-3-keto-2-(p-tolyl)prop-1-enyl]benzenediazonium tetrafluoroborate Formula: C16H13BF4N2O2 MolecularWeight: 352.091233

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC=C(C=C1)C(=CC2=CC=CC=C2[N+]#N)C(=O)O

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC=C(C=C1)/C(=C\C2=CC=CC=C2[N+]#N)/C(=O)O

InChI

InChI=1S/C16H12N2O2.BF4/c1-11-6-8-12(9-7-11)14(16(19)20)10-13-4-2-3-5-15(13)18-17;2-1(3,4)5/h2-10H,1H3;/q;-1/p+1/b14-10+;