3-(2-bromanylphenoxy)-8-[(dimethylazaniumyl)methyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(2-bromanylphenoxy)-8-[(dimethylazaniumyl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2-bromophenoxy)-8-[(dimethylammonio)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(2-bromophenoxy)-8-[(dimethylammonio)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2-bromophenoxy)-8-[(dimethylazaniumyl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(2-bromophenoxy)-8-[(dimethylammonio)methyl]-4-keto-chromen-7-olate Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=CC=C3Br)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=CC=C3Br)[O-]

InChI

InChI=1S/C18H16BrNO4/c1-20(2)9-12-14(21)8-7-11-17(22)16(10-23-18(11)12)24-15-6-4-3-5-13(15)19/h3-8,10,21H,9H2,1-2H3