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

Systemtic Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(2-methoxyphenyl)-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[(diisobutylammonio)methyl]-3-(2-methoxyphenyl)-2-methyl-4-oxo-chromen-7-olate CAS Name: 8-[[bis(2-methylpropyl)ammonio]methyl]-3-(2-methoxyphenyl)-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(2-methoxyphenyl)-2-methyl-4-oxochromen-7-olate Traditional Name: 8-[(diisobutylammonio)methyl]-4-keto-3-(2-methoxyphenyl)-2-methyl-chromen-7-olate Formula: C26H33NO4 MolecularWeight: 423.54452

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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)C3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](CC(C)C)CC(C)C)C3=CC=CC=C3OC

InChI

InChI=1S/C26H33NO4/c1-16(2)13-27(14-17(3)4)15-21-22(28)12-11-20-25(29)24(18(5)31-26(20)21)19-9-7-8-10-23(19)30-6/h7-12,16-17,28H,13-15H2,1-6H3