2-bromoethyl [3-hexadecoxy-2-[(5-phenyl-1,2-oxazol-3-yl)oxy]propyl] hydrogen phosphate

Systemtic Name: 2-bromoethyl [3-hexadecoxy-2-[(5-phenyl-1,2-oxazol-3-yl)oxy]propyl] hydrogen phosphate Openeye Name: 2-bromoethyl [3-hexadecoxy-2-(5-phenylisoxazol-3-yl)oxy-propyl] hydrogen phosphate CAS Name: 2-bromoethyl [3-hexadecoxy-2-[(5-phenyl-3-isoxazolyl)oxy]propyl] hydrogen phosphate IUPAC Name: 2-bromoethyl [3-hexadecoxy-2-[(5-phenyl-1,2-oxazol-3-yl)oxy]propyl] hydrogen phosphate Traditional Name: 2-bromoethyl [3-cetyloxy-2-(5-phenylisoxazol-3-yl)oxy-propyl] hydrogen phosphate Formula: C30H49BrNO7P MolecularWeight: 646.590321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCBr)OC1=NOC(=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCBr)OC1=NOC(=C1)C2=CC=CC=C2

InChI

InChI=1S/C30H49BrNO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-35-25-28(26-37-40(33,34)36-23-21-31)38-30-24-29(39-32-30)27-19-16-15-17-20-27/h15-17,19-20,24,28H,2-14,18,21-23,25-26H2,1H3,(H,33,34)