8-[[methyl-(phenylmethyl)azaniumyl]methyl]-4-oxidanylidene-3-(4-phenylphenoxy)chromen-7-olate

Systemtic Name: 8-[[methyl-(phenylmethyl)azaniumyl]methyl]-4-oxidanylidene-3-(4-phenylphenoxy)chromen-7-olate Openeye Name: 8-[[benzyl(methyl)ammonio]methyl]-4-oxo-3-(4-phenylphenoxy)chromen-7-olate CAS Name: 8-[[methyl-(phenylmethyl)ammonio]methyl]-4-oxo-3-(4-phenylphenoxy)-1-benzopyran-7-olate IUPAC Name: 8-[[benzyl(methyl)azaniumyl]methyl]-4-oxo-3-(4-phenylphenoxy)chromen-7-olate Traditional Name: 8-[[benzyl(methyl)ammonio]methyl]-4-keto-3-(4-phenylphenoxy)chromen-7-olate Formula: C30H25NO4 MolecularWeight: 463.5238

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C30H25NO4/c1-31(18-21-8-4-2-5-9-21)19-26-27(32)17-16-25-29(33)28(20-34-30(25)26)35-24-14-12-23(13-15-24)22-10-6-3-7-11-22/h2-17,20,32H,18-19H2,1H3