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

Systemtic Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(2-chlorophenyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2-chlorophenyl)-8-[(diisobutylammonio)methyl]-4-oxo-chromen-7-olate CAS Name: 8-[[bis(2-methylpropyl)ammonio]methyl]-3-(2-chlorophenyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(2-chlorophenyl)-4-oxochromen-7-olate Traditional Name: 3-(2-chlorophenyl)-8-[(diisobutylammonio)methyl]-4-keto-chromen-7-olate Formula: C24H28ClNO3 MolecularWeight: 413.93702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3Cl)[O-])CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3Cl)[O-])CC(C)C

InChI

InChI=1S/C24H28ClNO3/c1-15(2)11-26(12-16(3)4)13-19-22(27)10-9-18-23(28)20(14-29-24(18)19)17-7-5-6-8-21(17)25/h5-10,14-16,27H,11-13H2,1-4H3