methylbenzene; 1,1,2-tris(chloranyl)ethyl phosphate

Systemtic Name: methylbenzene; 1,1,2-tris(chloranyl)ethyl phosphate Openeye Name: toluene; 1,1,2-trichloroethyl phosphate CAS Name: toluene; 1,1,2-trichloroethyl phosphate IUPAC Name: toluene; 1,1,2-trichloroethyl phosphate Traditional Name: toluene; 1,1,2-trichloroethyl phosphate Formula: C9H10Cl3O4P-2 MolecularWeight: 319.506061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C(C(OP(=O)([O-])[O-])(Cl)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1.C(C(OP(=O)([O-])[O-])(Cl)Cl)Cl

InChI

InChI=1S/C7H8.C2H4Cl3O4P/c1-7-5-3-2-4-6-7;3-1-2(4,5)9-10(6,7)8/h2-6H,1H3;1H2,(H2,6,7,8)/p-2