2-bromoethyl [3-(icosanoylamino)-2-nonoxy-propyl] hydrogen phosphate

Systemtic Name: 2-bromoethyl [3-(icosanoylamino)-2-nonoxy-propyl] hydrogen phosphate Openeye Name: 2-bromoethyl [3-(icosanoylamino)-2-nonoxy-propyl] hydrogen phosphate CAS Name: 2-bromoethyl [2-nonoxy-3-(1-oxoeicosylamino)propyl] hydrogen phosphate IUPAC Name: 2-bromoethyl [3-(icosanoylamino)-2-nonoxypropyl] hydrogen phosphate Traditional Name: 2-bromoethyl [3-(eicosanoylamino)-2-nonoxy-propyl] hydrogen phosphate Formula: C34H69BrNO6P MolecularWeight: 698.792521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCCBr)OCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCCBr)OCCCCCCCCC

InChI

InChI=1S/C34H69BrNO6P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-34(37)36-31-33(32-42-43(38,39)41-30-28-35)40-29-26-24-22-10-8-6-4-2/h33H,3-32H2,1-2H3,(H,36,37)(H,38,39)