2-bromoethyl [3-(butanoylamino)-2-tridecoxy-propyl] hydrogen phosphate

Systemtic Name: 2-bromoethyl [3-(butanoylamino)-2-tridecoxy-propyl] hydrogen phosphate Openeye Name: 2-bromoethyl [3-(butanoylamino)-2-tridecoxy-propyl] hydrogen phosphate CAS Name: 2-bromoethyl [3-(1-oxobutylamino)-2-tridecoxypropyl] hydrogen phosphate IUPAC Name: 2-bromoethyl [3-(butanoylamino)-2-tridecoxypropyl] hydrogen phosphate Traditional Name: 2-bromoethyl (3-butyramido-2-tridecoxy-propyl) hydrogen phosphate Formula: C22H45BrNO6P MolecularWeight: 530.473561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(CNC(=O)CCC)COP(=O)(O)OCCBr

Isomeric SMILES

CCCCCCCCCCCCCOC(CNC(=O)CCC)COP(=O)(O)OCCBr

InChI

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