4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-8-[[butyl(methyl)azaniumyl]methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-8-[[butyl(methyl)azaniumyl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 4-(6-bromo-2-oxo-chromen-3-yl)-8-[[butyl(methyl)ammonio]methyl]-2-oxo-chromen-7-olate CAS Name: 4-(6-bromo-2-oxo-1-benzopyran-3-yl)-8-[[butyl(methyl)ammonio]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-(6-bromo-2-oxochromen-3-yl)-8-[[butyl(methyl)azaniumyl]methyl]-2-oxochromen-7-olate Traditional Name: 4-(6-bromo-2-keto-chromen-3-yl)-8-[[butyl(methyl)ammonio]methyl]-2-keto-chromen-7-olate Formula: C24H22BrNO5 MolecularWeight: 484.33918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=O)C=C2C3=CC4=C(C=CC(=C4)Br)OC3=O)[O-]

Isomeric SMILES

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=O)C=C2C3=CC4=C(C=CC(=C4)Br)OC3=O)[O-]

InChI

InChI=1S/C24H22BrNO5/c1-3-4-9-26(2)13-19-20(27)7-6-16-17(12-22(28)31-23(16)19)18-11-14-10-15(25)5-8-21(14)30-24(18)29/h5-8,10-12,27H,3-4,9,13H2,1-2H3