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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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