[1-[(2-bromanyl-2-phenyl-ethoxy)-oxidanyl-phosphoryl]oxy-3-hexadecoxy-propan-2-yl] ethanoate

Systemtic Name: [1-[(2-bromanyl-2-phenyl-ethoxy)-oxidanyl-phosphoryl]oxy-3-hexadecoxy-propan-2-yl] ethanoate Openeye Name: [1-[[(2-bromo-2-phenyl-ethoxy)-hydroxy-phosphoryl]oxymethyl]-2-hexadecoxy-ethyl] acetate CAS Name: acetic acid [1-[(2-bromo-2-phenylethoxy)-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] ester IUPAC Name: [1-[(2-bromo-2-phenylethoxy)-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] acetate Traditional Name: acetic acid [1-[[(2-bromo-2-phenyl-ethoxy)-hydroxy-phosphoryl]oxymethyl]-2-cetyloxy-ethyl] ester Formula: C29H50BrO7P MolecularWeight: 621.580861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC(C1=CC=CC=C1)Br)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC(C1=CC=CC=C1)Br)OC(=O)C

InChI

InChI=1S/C29H50BrO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34-23-28(37-26(2)31)24-35-38(32,33)36-25-29(30)27-20-17-16-18-21-27/h16-18,20-21,28-29H,3-15,19,22-25H2,1-2H3,(H,32,33)