3-[4-(4-nitrophenyl)carbonylphenoxy]-4,5-bis(oxidanyl)oxan-2-olate

Systemtic Name: 3-[4-(4-nitrophenyl)carbonylphenoxy]-4,5-bis(oxidanyl)oxan-2-olate Openeye Name: 4,5-dihydroxy-3-[4-(4-nitrobenzoyl)phenoxy]tetrahydropyran-2-olate CAS Name: 4,5-dihydroxy-3-[4-[(4-nitrophenyl)-oxomethyl]phenoxy]-2-oxanolate IUPAC Name: 4,5-dihydroxy-3-[4-(4-nitrobenzoyl)phenoxy]oxan-2-olate Traditional Name: 4,5-dihydroxy-3-[4-(4-nitrobenzoyl)phenoxy]tetrahydropyran-2-olate Formula: C18H16NO8- MolecularWeight: 374.32154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)[O-])OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O)O

Isomeric SMILES

C1C(C(C(C(O1)[O-])OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O)O

InChI

InChI=1S/C18H16NO8/c20-14-9-26-18(23)17(16(14)22)27-13-7-3-11(4-8-13)15(21)10-1-5-12(6-2-10)19(24)25/h1-8,14,16-18,20,22H,9H2/q-1