3-[3-[4-(3-acetyloxypropyl)-2-bromanyl-6-chloranyl-phenoxy]-5-chloranyl-4-oxidanyl-phenyl]propyl ethanoate

Systemtic Name: 3-[3-[4-(3-acetyloxypropyl)-2-bromanyl-6-chloranyl-phenoxy]-5-chloranyl-4-oxidanyl-phenyl]propyl ethanoate Openeye Name: 3-[3-[4-(3-acetoxypropyl)-2-bromo-6-chloro-phenoxy]-5-chloro-4-hydroxy-phenyl]propyl acetate CAS Name: acetic acid 3-[3-[4-(3-acetyloxypropyl)-2-bromo-6-chlorophenoxy]-5-chloro-4-hydroxyphenyl]propyl ester IUPAC Name: 3-[3-[4-(3-acetyloxypropyl)-2-bromo-6-chlorophenoxy]-5-chloro-4-hydroxyphenyl]propyl acetate Traditional Name: acetic acid 3-[3-[4-(3-acetoxypropyl)-2-bromo-6-chloro-phenoxy]-5-chloro-4-hydroxy-phenyl]propyl ester Formula: C22H23BrCl2O6 MolecularWeight: 534.22442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC1=CC(=C(C(=C1)Cl)O)OC2=C(C=C(C=C2Br)CCCOC(=O)C)Cl

Isomeric SMILES

CC(=O)OCCCC1=CC(=C(C(=C1)Cl)O)OC2=C(C=C(C=C2Br)CCCOC(=O)C)Cl

InChI

InChI=1S/C22H23BrCl2O6/c1-13(26)29-7-3-5-15-9-17(23)22(19(25)11-15)31-20-12-16(10-18(24)21(20)28)6-4-8-30-14(2)27/h9-12,28H,3-8H2,1-2H3