2-bromoethyl 2-cyanoethyl [3-hexadecoxy-2-(hexadecoxymethyl)-2-methyl-propyl] phosphate

Systemtic Name: 2-bromoethyl 2-cyanoethyl [3-hexadecoxy-2-(hexadecoxymethyl)-2-methyl-propyl] phosphate Openeye Name: 2-bromoethyl 2-cyanoethyl [3-hexadecoxy-2-(hexadecoxymethyl)-2-methyl-propyl] phosphate CAS Name: phosphoric acid 2-bromoethyl 2-cyanoethyl [3-hexadecoxy-2-(hexadecoxymethyl)-2-methylpropyl] ester IUPAC Name: 2-bromoethyl 2-cyanoethyl [3-hexadecoxy-2-(hexadecoxymethyl)-2-methylpropyl] phosphate Traditional Name: phosphoric acid 2-bromoethyl [3-cetyloxy-2-(cetyloxymethyl)-2-methyl-propyl] 2-cyanoethyl ester Formula: C42H83BrNO6P MolecularWeight: 808.989281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C)(COCCCCCCCCCCCCCCCC)COP(=O)(OCCC#N)OCCBr

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(C)(COCCCCCCCCCCCCCCCC)COP(=O)(OCCC#N)OCCBr

InChI

InChI=1S/C42H83BrNO6P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35-46-39-42(3,41-50-51(45,49-38-33-43)48-37-32-34-44)40-47-36-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-33,35-41H2,1-3H3