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

Systemtic Name: 2-bromoethyl [3-(decanoylamino)-2-heptoxy-propyl] hydrogen phosphate Openeye Name: 2-bromoethyl [3-(decanoylamino)-2-heptoxy-propyl] hydrogen phosphate CAS Name: 2-bromoethyl [2-heptoxy-3-(1-oxodecylamino)propyl] hydrogen phosphate IUPAC Name: 2-bromoethyl [3-(decanoylamino)-2-heptoxypropyl] hydrogen phosphate Traditional Name: 2-bromoethyl [3-(caprylamino)-2-heptoxy-propyl] hydrogen phosphate Formula: C22H45BrNO6P MolecularWeight: 530.473561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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