2-bromoethyl [2-heptoxy-3-(octadecanoylamino)propyl] hydrogen phosphate

Systemtic Name: 2-bromoethyl [2-heptoxy-3-(octadecanoylamino)propyl] hydrogen phosphate Openeye Name: 2-bromoethyl [2-heptoxy-3-(octadecanoylamino)propyl] hydrogen phosphate CAS Name: 2-bromoethyl [2-heptoxy-3-(1-oxooctadecylamino)propyl] hydrogen phosphate IUPAC Name: 2-bromoethyl [2-heptoxy-3-(octadecanoylamino)propyl] hydrogen phosphate Traditional Name: 2-bromoethyl (2-heptoxy-3-stearamido-propyl) hydrogen phosphate Formula: C30H61BrNO6P MolecularWeight: 642.686201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCCBr)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCCBr)OCCCCCCC

InChI

InChI=1S/C30H61BrNO6P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-30(33)32-27-29(36-25-22-20-8-6-4-2)28-38-39(34,35)37-26-24-31/h29H,3-28H2,1-2H3,(H,32,33)(H,34,35)