2-oxidanylidene-7-phenyl-4-[[[3-(trifluoromethyl)phenyl]azaniumyl]methyl]chromen-6-olate

Systemtic Name: 2-oxidanylidene-7-phenyl-4-[[[3-(trifluoromethyl)phenyl]azaniumyl]methyl]chromen-6-olate Openeye Name: 2-oxo-7-phenyl-4-[[[3-(trifluoromethyl)phenyl]ammonio]methyl]chromen-6-olate CAS Name: 2-oxo-7-phenyl-4-[[[3-(trifluoromethyl)phenyl]ammonio]methyl]-1-benzopyran-6-olate IUPAC Name: 2-oxo-7-phenyl-4-[[[3-(trifluoromethyl)phenyl]azaniumyl]methyl]chromen-6-olate Traditional Name: 2-keto-7-phenyl-4-[[[3-(trifluoromethyl)phenyl]ammonio]methyl]chromen-6-olate Formula: C23H16F3NO3 MolecularWeight: 411.37325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C3C(=CC(=O)OC3=C2)C[NH2+]C4=CC=CC(=C4)C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C3C(=CC(=O)OC3=C2)C[NH2+]C4=CC=CC(=C4)C(F)(F)F)[O-]

InChI

InChI=1S/C23H16F3NO3/c24-23(25,26)16-7-4-8-17(10-16)27-13-15-9-22(29)30-21-12-18(20(28)11-19(15)21)14-5-2-1-3-6-14/h1-12,27-28H,13H2