tris(2-bromanyl-4-methyl-phenyl) phosphate

Systemtic Name: tris(2-bromanyl-4-methyl-phenyl) phosphate Openeye Name: tris(2-bromo-4-methyl-phenyl) phosphate CAS Name: phosphoric acid tris(2-bromo-4-methylphenyl) ester IUPAC Name: tris(2-bromo-4-methylphenyl) phosphate Traditional Name: phosphoric acid tris(2-bromo-4-methyl-phenyl) ester Formula: C21H18Br3O4P MolecularWeight: 605.050981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OP(=O)(OC2=C(C=C(C=C2)C)Br)OC3=C(C=C(C=C3)C)Br)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OP(=O)(OC2=C(C=C(C=C2)C)Br)OC3=C(C=C(C=C3)C)Br)Br

InChI

InChI=1S/C21H18Br3O4P/c1-13-4-7-19(16(22)10-13)26-29(25,27-20-8-5-14(2)11-17(20)23)28-21-9-6-15(3)12-18(21)24/h4-12H,1-3H3