2-(4-nitrophenoxy)-3,4,5,6,7-pentakis(oxidanyl)heptanal

Systemtic Name: 2-(4-nitrophenoxy)-3,4,5,6,7-pentakis(oxidanyl)heptanal Openeye Name: 3,4,5,6,7-pentahydroxy-2-(4-nitrophenoxy)heptanal CAS Name: 3,4,5,6,7-pentahydroxy-2-(4-nitrophenoxy)heptanal IUPAC Name: 3,4,5,6,7-pentahydroxy-2-(4-nitrophenoxy)heptanal Traditional Name: 3,4,5,6,7-pentahydroxy-2-(4-nitrophenoxy)enanthaldehyde Formula: C13H17NO9 MolecularWeight: 331.27538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC(C=O)C(C(C(C(CO)O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(C=O)C(C(C(C(CO)O)O)O)O

InChI

InChI=1S/C13H17NO9/c15-5-9(17)11(18)13(20)12(19)10(6-16)23-8-3-1-7(2-4-8)14(21)22/h1-4,6,9-13,15,17-20H,5H2