[3,4,5-triacetyloxy-3-(hydroxymethyl)-6-(2-nitrophenoxy)oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-3-(hydroxymethyl)-6-(2-nitrophenoxy)oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-3-(hydroxymethyl)-6-(2-nitrophenoxy)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-3-(hydroxymethyl)-6-(2-nitrophenoxy)-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-3-(hydroxymethyl)-6-(2-nitrophenoxy)oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-3-methylol-6-(2-nitrophenoxy)tetrahydropyran-2-yl]methyl ester Formula: C21H25NO13 MolecularWeight: 499.4221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2=CC=CC=C2[N+](=O)[O-])OC(=O)C)OC(=O)C)(CO)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)OC2=CC=CC=C2[N+](=O)[O-])OC(=O)C)OC(=O)C)(CO)OC(=O)C

InChI

InChI=1S/C21H25NO13/c1-11(24)30-9-17-21(10-23,35-14(4)27)19(32-13(3)26)18(31-12(2)25)20(34-17)33-16-8-6-5-7-15(16)22(28)29/h5-8,17-20,23H,9-10H2,1-4H3