6-bromanylhexyl [3-hexadecoxy-2-(hexadecoxymethyl)-2-methyl-propyl] hydrogen phosphate

Systemtic Name: 6-bromanylhexyl [3-hexadecoxy-2-(hexadecoxymethyl)-2-methyl-propyl] hydrogen phosphate Openeye Name: 6-bromohexyl [3-hexadecoxy-2-(hexadecoxymethyl)-2-methyl-propyl] hydrogen phosphate CAS Name: 6-bromohexyl [3-hexadecoxy-2-(hexadecoxymethyl)-2-methylpropyl] hydrogen phosphate IUPAC Name: 6-bromohexyl [3-hexadecoxy-2-(hexadecoxymethyl)-2-methylpropyl] hydrogen phosphate Traditional Name: 6-bromohexyl [3-cetyloxy-2-(cetyloxymethyl)-2-methyl-propyl] hydrogen phosphate Formula: C43H88BrO6P MolecularWeight: 812.032981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C)(COCCCCCCCCCCCCCCCC)COP(=O)(O)OCCCCCCBr

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(C)(COCCCCCCCCCCCCCCCC)COP(=O)(O)OCCCCCCBr

InChI

InChI=1S/C43H88BrO6P/c1-4-6-8-10-12-14-16-18-20-22-24-26-29-33-37-47-40-43(3,42-50-51(45,46)49-39-35-31-28-32-36-44)41-48-38-34-30-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-42H2,1-3H3,(H,45,46)