[3-(2-bromanylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-bis(2-methylpropyl)azanium

Systemtic Name: [3-(2-bromanylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [3-(2-bromophenoxy)-7-hydroxy-4-oxo-chromen-8-yl]methyl-diisobutyl-ammonium CAS Name: [3-(2-bromophenoxy)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [3-(2-bromophenoxy)-7-hydroxy-4-oxochromen-8-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [3-(2-bromophenoxy)-7-hydroxy-4-keto-chromen-8-yl]methyl-diisobutyl-ammonium Formula: C24H29BrNO4+ MolecularWeight: 475.39536

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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/p+1