[3-(3,5-dimethylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-bis(2-methylpropyl)azanium

Systemtic Name: [3-(3,5-dimethylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [3-(3,5-dimethylphenoxy)-7-hydroxy-4-oxo-chromen-8-yl]methyl-diisobutyl-ammonium CAS Name: [3-(3,5-dimethylphenoxy)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [3-(3,5-dimethylphenoxy)-7-hydroxy-4-oxochromen-8-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [3-(3,5-dimethylphenoxy)-7-hydroxy-4-keto-chromen-8-yl]methyl-diisobutyl-ammonium Formula: C26H34NO4+ MolecularWeight: 424.55246

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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/p+1