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

Systemtic Name: 2-bromoethyl [3-(dodecanoylamino)-2-pentoxy-propyl] hydrogen phosphate Openeye Name: 2-bromoethyl [3-(dodecanoylamino)-2-pentoxy-propyl] hydrogen phosphate CAS Name: 2-bromoethyl [3-(1-oxododecylamino)-2-pentoxypropyl] hydrogen phosphate IUPAC Name: 2-bromoethyl [3-(dodecanoylamino)-2-pentoxypropyl] hydrogen phosphate Traditional Name: [2-amoxy-3-(lauroylamino)propyl] 2-bromoethyl hydrogen phosphate Formula: C22H45BrNO6P MolecularWeight: 530.473561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H45BrNO6P/c1-3-5-7-8-9-10-11-12-13-15-22(25)24-19-21(28-17-14-6-4-2)20-30-31(26,27)29-18-16-23/h21H,3-20H2,1-2H3,(H,24,25)(H,26,27)