methyl-[[7-oxidanyl-2-oxidanylidene-4-(2-oxidanylidenechromen-3-yl)chromen-8-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[7-oxidanyl-2-oxidanylidene-4-(2-oxidanylidenechromen-3-yl)chromen-8-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[7-hydroxy-2-oxo-4-(2-oxochromen-3-yl)chromen-8-yl]methyl]-methyl-ammonium CAS Name: [7-hydroxy-2-oxo-4-(2-oxo-1-benzopyran-3-yl)-1-benzopyran-8-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[7-hydroxy-2-oxo-4-(2-oxochromen-3-yl)chromen-8-yl]methyl]-methylazanium Traditional Name: benzyl-[[7-hydroxy-2-keto-4-(2-ketochromen-3-yl)chromen-8-yl]methyl]-methyl-ammonium Formula: C27H22NO5+ MolecularWeight: 440.46728

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=CC=CC=C5OC4=O)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=CC=CC=C5OC4=O)O

InChI

InChI=1S/C27H21NO5/c1-28(15-17-7-3-2-4-8-17)16-22-23(29)12-11-19-20(14-25(30)33-26(19)22)21-13-18-9-5-6-10-24(18)32-27(21)31/h2-14,29H,15-16H2,1H3/p+1