6-[[bis(2-methylpropyl)azaniumyl]methyl]-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate

Systemtic Name: 6-[[bis(2-methylpropyl)azaniumyl]methyl]-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Openeye Name: 6-[(diisobutylammonio)methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate CAS Name: 6-[[bis(2-methylpropyl)ammonio]methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-olate IUPAC Name: 6-[[bis(2-methylpropyl)azaniumyl]methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Traditional Name: 6-[(diisobutylammonio)methyl]-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)[O-])CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)[O-])CC(C)C

InChI

InChI=1S/C21H29NO3/c1-13(2)10-22(11-14(3)4)12-18-19(23)9-8-16-15-6-5-7-17(15)21(24)25-20(16)18/h8-9,13-14,23H,5-7,10-12H2,1-4H3