[2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium chloride Openeye Name: [2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-chromen-8-yl]methyl-dimethyl-ammonium chloride CAS Name: [2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-1-benzopyran-8-yl]methyl-dimethylammonium chloride IUPAC Name: [2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]methyl-dimethylazanium chloride Traditional Name: [2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-keto-chromen-8-yl]methyl-dimethyl-ammonium chloride Formula: C18H18ClNO7 MolecularWeight: 395.79102

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O)O.[Cl-]

Isomeric SMILES

C[NH+](C)CC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O)O.[Cl-]

InChI

InChI=1S/C18H17NO7.ClH/c1-19(2)7-9-11(21)6-13(23)14-15(24)16(25)17(26-18(9)14)8-3-4-10(20)12(22)5-8;/h3-6,20-23,25H,7H2,1-2H3;1H