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

Systemtic Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-4-(8-methoxy-2-oxidanylidene-chromen-3-yl)-2-oxidanylidene-chromen-7-olate Openeye Name: 8-[(diisobutylammonio)methyl]-4-(8-methoxy-2-oxo-chromen-3-yl)-2-oxo-chromen-7-olate CAS Name: 8-[[bis(2-methylpropyl)ammonio]methyl]-4-(8-methoxy-2-oxo-1-benzopyran-3-yl)-2-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-4-(8-methoxy-2-oxochromen-3-yl)-2-oxochromen-7-olate Traditional Name: 8-[(diisobutylammonio)methyl]-2-keto-4-(2-keto-8-methoxy-chromen-3-yl)chromen-7-olate Formula: C28H31NO6 MolecularWeight: 477.54884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=O)C=C2C3=CC4=C(C(=CC=C4)OC)OC3=O)[O-])CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=O)C=C2C3=CC4=C(C(=CC=C4)OC)OC3=O)[O-])CC(C)C

InChI

InChI=1S/C28H31NO6/c1-16(2)13-29(14-17(3)4)15-22-23(30)10-9-19-20(12-25(31)34-27(19)22)21-11-18-7-6-8-24(33-5)26(18)35-28(21)32/h6-12,16-17,30H,13-15H2,1-5H3