3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one; (3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one; (3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one; (3R)-3-hydroxy-4-(trimethylammonio)butanoate CAS Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one; (3R)-3-hydroxy-4-(trimethylammonio)butanoate IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one; (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate Traditional Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromone; (3R)-3-hydroxy-4-(trimethylammonio)butyrate Formula: C22H25NO8 MolecularWeight: 431.4358

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])O.C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)[O-])O.C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O

InChI

InChI=1S/C15H10O5.C7H15NO3/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19;1-8(2,3)5-6(9)4-7(10)11/h1-7,16-18H;6,9H,4-5H2,1-3H3/t;6-/m.1/s1