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

Systemtic Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-2-oxidanylidene-4-(2-oxidanylidenechromen-3-yl)chromen-7-olate Openeye Name: 8-[(diisobutylammonio)methyl]-2-oxo-4-(2-oxochromen-3-yl)chromen-7-olate CAS Name: 8-[[bis(2-methylpropyl)ammonio]methyl]-2-oxo-4-(2-oxo-1-benzopyran-3-yl)-1-benzopyran-7-olate IUPAC Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-2-oxo-4-(2-oxochromen-3-yl)chromen-7-olate Traditional Name: 8-[(diisobutylammonio)methyl]-2-keto-4-(2-ketochromen-3-yl)chromen-7-olate Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=O)C=C2C3=CC4=CC=CC=C4OC3=O)[O-])CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=O)C=C2C3=CC4=CC=CC=C4OC3=O)[O-])CC(C)C

InChI

InChI=1S/C27H29NO5/c1-16(2)13-28(14-17(3)4)15-22-23(29)10-9-19-20(12-25(30)33-26(19)22)21-11-18-7-5-6-8-24(18)32-27(21)31/h5-12,16-17,29H,13-15H2,1-4H3