1-[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(3-nitro-4-oxidanyl-phenyl)propan-1-one

Systemtic Name: 1-[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(3-nitro-4-oxidanyl-phenyl)propan-1-one Openeye Name: 1-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxy-3-nitro-phenyl)propan-1-one CAS Name: 1-[2,4-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-3-(4-hydroxy-3-nitrophenyl)-1-propanone IUPAC Name: 1-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxy-3-nitrophenyl)propan-1-one Traditional Name: 1-[2,4-dihydroxy-6-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-phenyl]-3-(4-hydroxy-3-nitro-phenyl)propan-1-one Formula: C21H23NO12 MolecularWeight: 481.40682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)[N+](=O)[O-])O

InChI

InChI=1S/C21H23NO12/c23-8-16-18(28)19(29)20(30)21(34-16)33-15-7-10(24)6-14(27)17(15)13(26)4-2-9-1-3-12(25)11(5-9)22(31)32/h1,3,5-7,16,18-21,23-25,27-30H,2,4,8H2