8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[(diisobutylammonio)methyl]-3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-olate CAS Name: 8-[[bis(2-methylpropyl)ammonio]methyl]-3-(3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(3,5-dimethylphenoxy)-4-oxochromen-7-olate Traditional Name: 8-[(diisobutylammonio)methyl]-3-(3,5-dimethylphenoxy)-4-keto-chromen-7-olate Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+](CC(C)C)CC(C)C)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+](CC(C)C)CC(C)C)[O-])C

InChI

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