4-[[bis(2-methylpropyl)azaniumyl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate

Systemtic Name: 4-[[bis(2-methylpropyl)azaniumyl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate Openeye Name: 4-[(diisobutylammonio)methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 4-[[bis(2-methylpropyl)ammonio]methyl]-2-oxo-7-phenyl-1-benzopyran-6-olate IUPAC Name: 4-[[bis(2-methylpropyl)azaniumyl]methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 4-[(diisobutylammonio)methyl]-2-keto-7-phenyl-chromen-6-olate Formula: C24H29NO3 MolecularWeight: 379.49196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=CC(=O)OC2=CC(=C(C=C12)[O-])C3=CC=CC=C3)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=CC(=O)OC2=CC(=C(C=C12)[O-])C3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C24H29NO3/c1-16(2)13-25(14-17(3)4)15-19-10-24(27)28-23-12-20(22(26)11-21(19)23)18-8-6-5-7-9-18/h5-12,16-17,26H,13-15H2,1-4H3