8-[2-[3,4-bis(oxidanyl)phenyl]-4-oxidanylidene-chromen-3-yl]oxyoctyl-trimethyl-azanium bromide

Systemtic Name: 8-[2-[3,4-bis(oxidanyl)phenyl]-4-oxidanylidene-chromen-3-yl]oxyoctyl-trimethyl-azanium bromide Openeye Name: 8-[2-(3,4-dihydroxyphenyl)-4-oxo-chromen-3-yl]oxyoctyl-trimethyl-ammonium bromide CAS Name: 8-[[2-(3,4-dihydroxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]octyl-trimethylammonium bromide IUPAC Name: 8-[2-(3,4-dihydroxyphenyl)-4-oxochromen-3-yl]oxyoctyl-trimethylazanium bromide Traditional Name: 8-[2-(3,4-dihydroxyphenyl)-4-keto-chromen-3-yl]oxyoctyl-trimethyl-ammonium bromide Formula: C26H34BrNO5 MolecularWeight: 520.45586

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCCCCCOC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)O)O.[Br-]

Isomeric SMILES

C[N+](C)(C)CCCCCCCCOC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)O)O.[Br-]

InChI

InChI=1S/C26H33NO5.BrH/c1-27(2,3)16-10-6-4-5-7-11-17-31-26-24(30)20-12-8-9-13-23(20)32-25(26)19-14-15-21(28)22(29)18-19;/h8-9,12-15,18H,4-7,10-11,16-17H2,1-3H3,(H-,28,29,30);1H