4-methylheptyl 2-[2,4,5-tris(chloranyl)phenoxy]propanoate

Systemtic Name: 4-methylheptyl 2-[2,4,5-tris(chloranyl)phenoxy]propanoate Openeye Name: 4-methylheptyl 2-(2,4,5-trichlorophenoxy)propanoate CAS Name: 2-(2,4,5-trichlorophenoxy)propanoic acid 4-methylheptyl ester IUPAC Name: 4-methylheptyl 2-(2,4,5-trichlorophenoxy)propanoate Traditional Name: 2-(2,4,5-trichlorophenoxy)propionic acid 4-methylheptyl ester Formula: C17H23Cl3O3 MolecularWeight: 381.72172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CCCOC(=O)C(C)OC1=CC(=C(C=C1Cl)Cl)Cl

Isomeric SMILES

CCCC(C)CCCOC(=O)C(C)OC1=CC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C17H23Cl3O3/c1-4-6-11(2)7-5-8-22-17(21)12(3)23-16-10-14(19)13(18)9-15(16)20/h9-12H,4-8H2,1-3H3