[3-(bromomethyl)phenyl] (4-hexadecoxyphenyl) phosphate

Systemtic Name: [3-(bromomethyl)phenyl] (4-hexadecoxyphenyl) phosphate Openeye Name: [3-(bromomethyl)phenyl] (4-hexadecoxyphenyl) phosphate CAS Name: [3-(bromomethyl)phenyl] (4-hexadecoxyphenyl) phosphate IUPAC Name: [3-(bromomethyl)phenyl] (4-hexadecoxyphenyl) phosphate Traditional Name: [3-(bromomethyl)phenyl] (4-cetyloxyphenyl) phosphate Formula: C29H43BrO5P- MolecularWeight: 582.526481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=CC(=C2)CBr

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=CC(=C2)CBr

InChI

InChI=1S/C29H44BrO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-33-27-19-21-28(22-20-27)34-36(31,32)35-29-18-16-17-26(24-29)25-30/h16-22,24H,2-15,23,25H2,1H3,(H,31,32)/p-1