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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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