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

Systemtic Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(4-methoxyphenoxy)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[(diisobutylammonio)methyl]-3-(4-methoxyphenoxy)-4-oxo-chromen-7-olate CAS Name: 8-[[bis(2-methylpropyl)ammonio]methyl]-3-(4-methoxyphenoxy)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(4-methoxyphenoxy)-4-oxochromen-7-olate Traditional Name: 8-[(diisobutylammonio)methyl]-4-keto-3-(4-methoxyphenoxy)chromen-7-olate Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=C(C=C3)OC)[O-])CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=C(C=C3)OC)[O-])CC(C)C

InChI

InChI=1S/C25H31NO5/c1-16(2)12-26(13-17(3)4)14-21-22(27)11-10-20-24(28)23(15-30-25(20)21)31-19-8-6-18(29-5)7-9-19/h6-11,15-17,27H,12-14H2,1-5H3