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

Systemtic Name: [3,4,5-triacetyloxy-6-(4-nitro-3-pentadecyl-phenoxy)oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(4-nitro-3-pentadecyl-phenoxy)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-(4-nitro-3-pentadecylphenoxy)-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(4-nitro-3-pentadecylphenoxy)oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(4-nitro-3-pentadecyl-phenoxy)tetrahydropyran-2-yl]methyl ester Formula: C35H53NO12 MolecularWeight: 679.79482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C35H53NO12/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-22-29(20-21-30(28)36(41)42)47-35-34(46-27(5)40)33(45-26(4)39)32(44-25(3)38)31(48-35)23-43-24(2)37/h20-22,31-35H,6-19,23H2,1-5H3