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

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-4-oxidanylidene-2,3-dihydrochromen-8-yl]methyl-diethyl-azanium chloride Openeye Name: [2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-chroman-8-yl]methyl-diethyl-ammonium chloride CAS Name: [2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]methyl-diethylammonium chloride IUPAC Name: [2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-8-yl]methyl-diethylazanium chloride Traditional Name: [2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-keto-chroman-8-yl]methyl-diethyl-ammonium chloride Formula: C20H24ClNO7 MolecularWeight: 425.86006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO7.ClH/c1-3-21(4-2)9-11-13(23)8-15(25)16-17(26)18(27)19(28-20(11)16)10-5-6-12(22)14(24)7-10;/h5-8,18-19,22-25,27H,3-4,9H2,1-2H3;1H