2-azaniumylethyl [2-ethanoyl-4-(hexadecanoylamino)phenyl] phosphate

Systemtic Name: 2-azaniumylethyl [2-ethanoyl-4-(hexadecanoylamino)phenyl] phosphate Openeye Name: [2-acetyl-4-(hexadecanoylamino)phenyl] 2-azaniumylethyl phosphate CAS Name: [2-acetyl-4-(1-oxohexadecylamino)phenyl] 2-ammonioethyl phosphate IUPAC Name: [2-acetyl-4-(hexadecanoylamino)phenyl] 2-azaniumylethyl phosphate Traditional Name: (2-acetyl-4-palmitamido-phenyl) 2-ammonioethyl phosphate Formula: C26H45N2O6P MolecularWeight: 512.619061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)OP(=O)([O-])OCC[NH3+])C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)OP(=O)([O-])OCC[NH3+])C(=O)C

InChI

InChI=1S/C26H45N2O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(30)28-23-17-18-25(24(21-23)22(2)29)34-35(31,32)33-20-19-27/h17-18,21H,3-16,19-20,27H2,1-2H3,(H,28,30)(H,31,32)