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

Systemtic Name: 2-bromoethyl [3-(butanoylamino)-2-nonadecoxy-propyl] hydrogen phosphate Openeye Name: 2-bromoethyl [3-(butanoylamino)-2-nonadecoxy-propyl] hydrogen phosphate CAS Name: 2-bromoethyl [2-nonadecoxy-3-(1-oxobutylamino)propyl] hydrogen phosphate IUPAC Name: 2-bromoethyl [3-(butanoylamino)-2-nonadecoxypropyl] hydrogen phosphate Traditional Name: 2-bromoethyl (3-butyramido-2-nonadecoxy-propyl) hydrogen phosphate Formula: C28H57BrNO6P MolecularWeight: 614.633041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H57BrNO6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-34-27(25-30-28(31)21-4-2)26-36-37(32,33)35-24-22-29/h27H,3-26H2,1-2H3,(H,30,31)(H,32,33)