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

Systemtic Name: [3,4,5-triacetyloxy-6-(2-methyl-4,6-dinitro-phenoxy)oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(2-methyl-4,6-dinitro-phenoxy)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-(2-methyl-4,6-dinitrophenoxy)-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(2-methyl-4,6-dinitrophenoxy)oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(2-methyl-4,6-dinitro-phenoxy)tetrahydropyran-2-yl]methyl ester Formula: C21H24N2O14 MolecularWeight: 528.42026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O14/c1-9-6-14(22(28)29)7-15(23(30)31)17(9)37-21-20(35-13(5)27)19(34-12(4)26)18(33-11(3)25)16(36-21)8-32-10(2)24/h6-7,16,18-21H,8H2,1-5H3