tris(4-chloranyl-3-methyl-phenyl) phosphate

Systemtic Name: tris(4-chloranyl-3-methyl-phenyl) phosphate Openeye Name: tris(4-chloro-3-methyl-phenyl) phosphate CAS Name: phosphoric acid tris(4-chloro-3-methylphenyl) ester IUPAC Name: tris(4-chloro-3-methylphenyl) phosphate Traditional Name: phosphoric acid tris(4-chloro-3-methyl-phenyl) ester Formula: C21H18Cl3O4P MolecularWeight: 471.697981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl3O4P/c1-13-10-16(4-7-19(13)22)26-29(25,27-17-5-8-20(23)14(2)11-17)28-18-6-9-21(24)15(3)12-18/h4-12H,1-3H3