methyl 5-ethyl-2,4-bis(trichloromethyl)-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: methyl 5-ethyl-2,4-bis(trichloromethyl)-4H-1,3-benzodioxine-6-carboxylate Openeye Name: methyl 5-ethyl-2,4-bis(trichloromethyl)-4H-1,3-benzodioxine-6-carboxylate CAS Name: 5-ethyl-2,4-bis(trichloromethyl)-4H-1,3-benzodioxin-6-carboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2,4-bis(trichloromethyl)-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 5-ethyl-2,4-bis(trichloromethyl)-4H-1,3-benzodioxin-6-carboxylic acid methyl ester Formula: C14H12Cl6O4 MolecularWeight: 456.96068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1C(OC(O2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC2=C1C(OC(O2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)C(=O)OC

InChI

InChI=1S/C14H12Cl6O4/c1-3-6-7(11(21)22-2)4-5-8-9(6)10(13(15,16)17)24-12(23-8)14(18,19)20/h4-5,10,12H,3H2,1-2H3