[6-(hydroxymethyl)-5-(2-nitrophenoxy)-3,4-bis(oxidanyl)oxan-2-yl] hexadecanoate

Systemtic Name: [6-(hydroxymethyl)-5-(2-nitrophenoxy)-3,4-bis(oxidanyl)oxan-2-yl] hexadecanoate Openeye Name: [3,4-dihydroxy-6-(hydroxymethyl)-5-(2-nitrophenoxy)tetrahydropyran-2-yl] hexadecanoate CAS Name: hexadecanoic acid [3,4-dihydroxy-6-(hydroxymethyl)-5-(2-nitrophenoxy)-2-oxanyl] ester IUPAC Name: [3,4-dihydroxy-6-(hydroxymethyl)-5-(2-nitrophenoxy)oxan-2-yl] hexadecanoate Traditional Name: palmitic acid [3,4-dihydroxy-6-methylol-5-(2-nitrophenoxy)tetrahydropyran-2-yl] ester Formula: C28H45NO9 MolecularWeight: 539.6582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1C(C(C(C(O1)CO)OC2=CC=CC=C2[N+](=O)[O-])O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1C(C(C(C(O1)CO)OC2=CC=CC=C2[N+](=O)[O-])O)O

InChI

InChI=1S/C28H45NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24(31)38-28-26(33)25(32)27(23(20-30)37-28)36-22-18-16-15-17-21(22)29(34)35/h15-18,23,25-28,30,32-33H,2-14,19-20H2,1H3