2-bromoethyl methyl [(E,2S,3R)-3-oxidanyl-2-(tetradecanoylamino)octadec-4-enyl] phosphate

Systemtic Name: 2-bromoethyl methyl [(E,2S,3R)-3-oxidanyl-2-(tetradecanoylamino)octadec-4-enyl] phosphate Openeye Name: 2-bromoethyl [(E,2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadec-4-enyl] methyl phosphate CAS Name: phosphoric acid 2-bromoethyl [(E,2S,3R)-3-hydroxy-2-(1-oxotetradecylamino)octadec-4-enyl] methyl ester IUPAC Name: 2-bromoethyl [(E,2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadec-4-enyl] methyl phosphate Traditional Name: phosphoric acid 2-bromoethyl [(E,2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadec-4-enyl] methyl ester Formula: C35H69BrNO6P MolecularWeight: 710.803221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COP(=O)(OC)OCCBr)NC(=O)CCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(OC)OCCBr)NC(=O)CCCCCCCCCCCCC)O

InChI

InChI=1S/C35H69BrNO6P/c1-4-6-8-10-12-14-16-17-19-20-22-24-26-28-34(38)33(32-43-44(40,41-3)42-31-30-36)37-35(39)29-27-25-23-21-18-15-13-11-9-7-5-2/h26,28,33-34,38H,4-25,27,29-32H2,1-3H3,(H,37,39)/b28-26+/t33-,34+,44?/m0/s1