[2-[(2R,3R)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-oxidanyl-propoxy]-2-oxidanylidene-ethyl] hexadecanoate

Systemtic Name: [2-[(2R,3R)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-oxidanyl-propoxy]-2-oxidanylidene-ethyl] hexadecanoate Openeye Name: [2-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-2-oxo-ethyl] hexadecanoate CAS Name: hexadecanoic acid [2-[(2R,3R)-2-[(2,2-dichloro-1-oxoethyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-2-oxoethyl] ester IUPAC Name: [2-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-2-oxoethyl] hexadecanoate Traditional Name: palmitic acid [2-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-2-keto-ethyl] ester Formula: C29H44Cl2N2O8 MolecularWeight: 619.57426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(C(C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(=O)OC[C@H]([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl

InChI

InChI=1S/C29H44Cl2N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(34)41-21-26(35)40-20-24(32-29(37)28(30)31)27(36)22-16-18-23(19-17-22)33(38)39/h16-19,24,27-28,36H,2-15,20-21H2,1H3,(H,32,37)/t24-,27-/m1/s1