2-bromoethyl [2-(hexadecanoylamino)-4-nitro-phenyl] hydrogen phosphate

Systemtic Name: 2-bromoethyl [2-(hexadecanoylamino)-4-nitro-phenyl] hydrogen phosphate Openeye Name: 2-bromoethyl [2-(hexadecanoylamino)-4-nitro-phenyl] hydrogen phosphate CAS Name: 2-bromoethyl [4-nitro-2-(1-oxohexadecylamino)phenyl] hydrogen phosphate IUPAC Name: 2-bromoethyl [2-(hexadecanoylamino)-4-nitrophenyl] hydrogen phosphate Traditional Name: 2-bromoethyl (4-nitro-2-palmitamido-phenyl) hydrogen phosphate Formula: C24H40BrN2O7P MolecularWeight: 579.461361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OP(=O)(O)OCCBr

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OP(=O)(O)OCCBr

InChI

InChI=1S/C24H40BrN2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28)26-22-20-21(27(29)30)16-17-23(22)34-35(31,32)33-19-18-25/h16-17,20H,2-15,18-19H2,1H3,(H,26,28)(H,31,32)