2-bromoethyl [3-(docosanoylamino)-2-propoxy-propyl] hydrogen phosphate

Systemtic Name: 2-bromoethyl [3-(docosanoylamino)-2-propoxy-propyl] hydrogen phosphate Openeye Name: 2-bromoethyl [3-(docosanoylamino)-2-propoxy-propyl] hydrogen phosphate CAS Name: 2-bromoethyl [3-(1-oxodocosylamino)-2-propoxypropyl] hydrogen phosphate IUPAC Name: 2-bromoethyl [3-(docosanoylamino)-2-propoxypropyl] hydrogen phosphate Traditional Name: 2-bromoethyl [3-(docosanoylamino)-2-propoxy-propyl] hydrogen phosphate Formula: C30H61BrNO6P MolecularWeight: 642.686201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCCBr)OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCCBr)OCCC

InChI

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