8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(2-bromanylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-olate

Systemtic Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(2-bromanylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2-bromophenoxy)-8-[(diisobutylammonio)methyl]-2-methyl-4-oxo-chromen-7-olate CAS Name: 8-[[bis(2-methylpropyl)ammonio]methyl]-3-(2-bromophenoxy)-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(2-bromophenoxy)-2-methyl-4-oxochromen-7-olate Traditional Name: 3-(2-bromophenoxy)-8-[(diisobutylammonio)methyl]-4-keto-2-methyl-chromen-7-olate Formula: C25H30BrNO4 MolecularWeight: 488.414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](CC(C)C)CC(C)C)OC3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](CC(C)C)CC(C)C)OC3=CC=CC=C3Br

InChI

InChI=1S/C25H30BrNO4/c1-15(2)12-27(13-16(3)4)14-19-21(28)11-10-18-23(29)24(17(5)30-25(18)19)31-22-9-7-6-8-20(22)26/h6-11,15-16,28H,12-14H2,1-5H3