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

Systemtic Name: 2-bromoethyl [3-(octadecanoylamino)-2-pentoxy-propyl] hydrogen phosphate Openeye Name: 2-bromoethyl [3-(octadecanoylamino)-2-pentoxy-propyl] hydrogen phosphate CAS Name: 2-bromoethyl [3-(1-oxooctadecylamino)-2-pentoxypropyl] hydrogen phosphate IUPAC Name: 2-bromoethyl [3-(octadecanoylamino)-2-pentoxypropyl] hydrogen phosphate Traditional Name: (2-amoxy-3-stearamido-propyl) 2-bromoethyl hydrogen phosphate Formula: C28H57BrNO6P MolecularWeight: 614.633041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H57BrNO6P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-28(31)30-25-27(34-23-20-6-4-2)26-36-37(32,33)35-24-22-29/h27H,3-26H2,1-2H3,(H,30,31)(H,32,33)