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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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