3,6-bis(chloranyl)-2-methoxy-benzoic acid; 2-(4-chloranyl-2-methyl-phenoxy)propanoic acid; 2-ethylhexyl 2-[2,4-bis(chloranyl)phenoxy]ethanoate

Systemtic Name: 3,6-bis(chloranyl)-2-methoxy-benzoic acid; 2-(4-chloranyl-2-methyl-phenoxy)propanoic acid; 2-ethylhexyl 2-[2,4-bis(chloranyl)phenoxy]ethanoate Openeye Name: 2-(4-chloro-2-methyl-phenoxy)propanoic acid; 3,6-dichloro-2-methoxy-benzoic acid; 2-ethylhexyl 2-(2,4-dichlorophenoxy)acetate CAS Name: 2-(4-chloro-2-methylphenoxy)propanoic acid; 3,6-dichloro-2-methoxybenzoic acid; 2-(2,4-dichlorophenoxy)acetic acid 2-ethylhexyl ester IUPAC Name: 2-(4-chloro-2-methylphenoxy)propanoic acid; 3,6-dichloro-2-methoxybenzoic acid; 2-ethylhexyl 2-(2,4-dichlorophenoxy)acetate Traditional Name: 2-(4-chloro-2-methyl-phenoxy)propionic acid; 3,6-dichloro-2-methoxy-benzoic acid; 2-(2,4-dichlorophenoxy)acetic acid 2-ethylhexyl ester Formula: C34H39Cl5O9 MolecularWeight: 768.93306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl.CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O.COC1=C(C=CC(=C1C(=O)O)Cl)Cl

Isomeric SMILES

CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl.CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O.COC1=C(C=CC(=C1C(=O)O)Cl)Cl

InChI

InChI=1S/C16H22Cl2O3.C10H11ClO3.C8H6Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18;1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;1-13-7-5(10)3-2-4(9)6(7)8(11)12/h7-9,12H,3-6,10-11H2,1-2H3;3-5,7H,1-2H3,(H,12,13);2-3H,1H3,(H,11,12)