[1-[(hexadecanoylamino)-(4-nitrophenyl)phosphoryl]-2-oxidanyl-ethyl]-trimethyl-azanium

Systemtic Name: [1-[(hexadecanoylamino)-(4-nitrophenyl)phosphoryl]-2-oxidanyl-ethyl]-trimethyl-azanium Openeye Name: [1-[(hexadecanoylamino)-(4-nitrophenyl)phosphoryl]-2-hydroxy-ethyl]-trimethyl-ammonium CAS Name: [2-hydroxy-1-[(4-nitrophenyl)-(1-oxohexadecylamino)phosphoryl]ethyl]-trimethylammonium IUPAC Name: [1-[(hexadecanoylamino)-(4-nitrophenyl)phosphoryl]-2-hydroxyethyl]-trimethylazanium Traditional Name: [2-hydroxy-1-[(4-nitrophenyl)-palmitamido-phosphoryl]ethyl]-trimethyl-ammonium Formula: C27H49N3O5P+ MolecularWeight: 526.668821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NP(=O)(C1=CC=C(C=C1)[N+](=O)[O-])C(CO)[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NP(=O)(C1=CC=C(C=C1)[N+](=O)[O-])C(CO)[N+](C)(C)C

InChI

InChI=1S/C27H48N3O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(32)28-36(35,27(23-31)30(2,3)4)25-21-19-24(20-22-25)29(33)34/h19-22,27,31H,5-18,23H2,1-4H3/p+1