[3-(bromomethyl)-5-tert-butyl-phenyl] tert-butyl (4-dodecoxyphenyl) phosphate

Systemtic Name: [3-(bromomethyl)-5-tert-butyl-phenyl] tert-butyl (4-dodecoxyphenyl) phosphate Openeye Name: [3-(bromomethyl)-5-tert-butyl-phenyl] tert-butyl (4-dodecoxyphenyl) phosphate CAS Name: phosphoric acid [3-(bromomethyl)-5-tert-butylphenyl] tert-butyl (4-dodecoxyphenyl) ester IUPAC Name: [3-(bromomethyl)-5-tert-butylphenyl] tert-butyl (4-dodecoxyphenyl) phosphate Traditional Name: phosphoric acid [3-(bromomethyl)-5-tert-butyl-phenyl] tert-butyl (4-lauryloxyphenyl) ester Formula: C33H52BrO5P MolecularWeight: 639.640741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)OP(=O)(OC2=CC(=CC(=C2)C(C)(C)C)CBr)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)OP(=O)(OC2=CC(=CC(=C2)C(C)(C)C)CBr)OC(C)(C)C

InChI

InChI=1S/C33H52BrO5P/c1-8-9-10-11-12-13-14-15-16-17-22-36-29-18-20-30(21-19-29)37-40(35,39-33(5,6)7)38-31-24-27(26-34)23-28(25-31)32(2,3)4/h18-21,23-25H,8-17,22,26H2,1-7H3