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

Systemtic Name: 2-bromoethyl [3-(decanoylamino)-2-pentoxy-propyl] hydrogen phosphate Openeye Name: 2-bromoethyl [3-(decanoylamino)-2-pentoxy-propyl] hydrogen phosphate CAS Name: 2-bromoethyl [3-(1-oxodecylamino)-2-pentoxypropyl] hydrogen phosphate IUPAC Name: 2-bromoethyl [3-(decanoylamino)-2-pentoxypropyl] hydrogen phosphate Traditional Name: [2-amoxy-3-(caprylamino)propyl] 2-bromoethyl hydrogen phosphate Formula: C20H41BrNO6P MolecularWeight: 502.420401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H41BrNO6P/c1-3-5-7-8-9-10-11-13-20(23)22-17-19(26-15-12-6-4-2)18-28-29(24,25)27-16-14-21/h19H,3-18H2,1-2H3,(H,22,23)(H,24,25)