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

Systemtic Name:	[3-(bromomethyl)phenyl] (3-hexadecoxyphenyl) hydrogen phosphate
Openeye Name:	[3-(bromomethyl)phenyl] (3-hexadecoxyphenyl) hydrogen phosphate
CAS Name:	[3-(bromomethyl)phenyl] (3-hexadecoxyphenyl) hydrogen phosphate
IUPAC Name:	[3-(bromomethyl)phenyl] (3-hexadecoxyphenyl) hydrogen phosphate
Traditional Name:	[3-(bromomethyl)phenyl] (3-cetyloxyphenyl) hydrogen phosphate
Formula:	C₂₉H₄₄BrO₅P
MolecularWeight:	583.534421

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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)

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