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

Systemtic Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(2-bromanylphenoxy)-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2-bromophenoxy)-8-[(diisobutylammonio)methyl]-4-oxo-chromen-7-olate CAS Name: 8-[[bis(2-methylpropyl)ammonio]methyl]-3-(2-bromophenoxy)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(2-bromophenoxy)-4-oxochromen-7-olate Traditional Name: 3-(2-bromophenoxy)-8-[(diisobutylammonio)methyl]-4-keto-chromen-7-olate Formula: C24H28BrNO4 MolecularWeight: 474.38742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28BrNO4/c1-15(2)11-26(12-16(3)4)13-18-20(27)10-9-17-23(28)22(14-29-24(17)18)30-21-8-6-5-7-19(21)25/h5-10,14-16,27H,11-13H2,1-4H3