4-(8-methoxy-2-oxidanylidene-chromen-3-yl)-2-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 4-(8-methoxy-2-oxidanylidene-chromen-3-yl)-2-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 4-(8-methoxy-2-oxo-chromen-3-yl)-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 4-(8-methoxy-2-oxo-1-benzopyran-3-yl)-2-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 4-(8-methoxy-2-oxochromen-3-yl)-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 2-keto-4-(2-keto-8-methoxy-chromen-3-yl)-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C24H21NO6 MolecularWeight: 419.42664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C3=CC(=O)OC4=C3C=CC(=C4C[NH+]5CCCC5)[O-]

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C3=CC(=O)OC4=C3C=CC(=C4C[NH+]5CCCC5)[O-]

InChI

InChI=1S/C24H21NO6/c1-29-20-6-4-5-14-11-17(24(28)31-22(14)20)16-12-21(27)30-23-15(16)7-8-19(26)18(23)13-25-9-2-3-10-25/h4-8,11-12,26H,2-3,9-10,13H2,1H3