[(2R)-3-(4-nitrophenoxy)-2-(oxan-2-yloxy)-3-oxidanylidene-propyl] hexadecanoate

Systemtic Name: [(2R)-3-(4-nitrophenoxy)-2-(oxan-2-yloxy)-3-oxidanylidene-propyl] hexadecanoate Openeye Name: [(2R)-3-(4-nitrophenoxy)-3-oxo-2-tetrahydropyran-2-yloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-3-(4-nitrophenoxy)-2-(2-oxanyloxy)-3-oxopropyl] ester IUPAC Name: [(2R)-3-(4-nitrophenoxy)-2-(oxan-2-yloxy)-3-oxopropyl] hexadecanoate Traditional Name: palmitic acid [(2R)-3-keto-3-(4-nitrophenoxy)-2-tetrahydropyran-2-yloxy-propyl] ester Formula: C30H47NO8 MolecularWeight: 549.69608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])OC2CCCCO2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])OC2CCCCO2

InChI

InChI=1S/C30H47NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-28(32)37-24-27(39-29-18-15-16-23-36-29)30(33)38-26-21-19-25(20-22-26)31(34)35/h19-22,27,29H,2-18,23-24H2,1H3/t27-,29?/m1/s1