[1-bromanyl-4-[octadecyl-(phenylmethyl)amino]butan-2-yl] dihydrogen phosphate

Systemtic Name: [1-bromanyl-4-[octadecyl-(phenylmethyl)amino]butan-2-yl] dihydrogen phosphate Openeye Name: [3-[benzyl(octadecyl)amino]-1-(bromomethyl)propyl] dihydrogen phosphate CAS Name: [1-bromo-4-[octadecyl-(phenylmethyl)amino]butan-2-yl] dihydrogen phosphate IUPAC Name: [4-[benzyl(octadecyl)amino]-1-bromobutan-2-yl] dihydrogen phosphate Traditional Name: [3-[benzyl(stearyl)amino]-1-(bromomethyl)propyl] dihydrogen phosphate Formula: C29H53BrNO4P MolecularWeight: 590.613181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCC(CBr)OP(=O)(O)O)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCC(CBr)OP(=O)(O)O)CC1=CC=CC=C1

InChI

InChI=1S/C29H53BrNO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-31(27-28-21-18-17-19-22-28)25-23-29(26-30)35-36(32,33)34/h17-19,21-22,29H,2-16,20,23-27H2,1H3,(H2,32,33,34)