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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(30)36-20-23-25(31)26(32)27(33)28(38-23)37-22-18-16-21(17-19-22)29(34)35/h16-19,23,25-28,31-33H,2-15,20H2,1H3