4-[[bis(2-methylpropyl)azaniumyl]methyl]-6-oxidanylidene-benzo[c]chromen-3-olate

Systemtic Name: 4-[[bis(2-methylpropyl)azaniumyl]methyl]-6-oxidanylidene-benzo[c]chromen-3-olate Openeye Name: 4-[(diisobutylammonio)methyl]-6-oxo-benzo[c]chromen-3-olate CAS Name: 4-[[bis(2-methylpropyl)ammonio]methyl]-6-oxo-3-benzo[c][1]benzopyranolate IUPAC Name: 4-[[bis(2-methylpropyl)azaniumyl]methyl]-6-oxobenzo[c]chromen-3-olate Traditional Name: 4-[(diisobutylammonio)methyl]-6-keto-benzo[c]chromen-3-olate Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)[O-])CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)[O-])CC(C)C

InChI

InChI=1S/C22H27NO3/c1-14(2)11-23(12-15(3)4)13-19-20(24)10-9-17-16-7-5-6-8-18(16)22(25)26-21(17)19/h5-10,14-15,24H,11-13H2,1-4H3