methyl 3-[2-[3,5-bis(chloranyl)hexyl]-4-oxidanyl-phenyl]propanoate

Systemtic Name: methyl 3-[2-[3,5-bis(chloranyl)hexyl]-4-oxidanyl-phenyl]propanoate Openeye Name: methyl 3-[2-(3,5-dichlorohexyl)-4-hydroxy-phenyl]propanoate CAS Name: 3-[2-(3,5-dichlorohexyl)-4-hydroxyphenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3,5-dichlorohexyl)-4-hydroxyphenyl]propanoate Traditional Name: 3-[2-(3,5-dichlorohexyl)-4-hydroxy-phenyl]propionic acid methyl ester Formula: C16H22Cl2O3 MolecularWeight: 333.25008

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CCC1=C(C=CC(=C1)O)CCC(=O)OC)Cl)Cl

Isomeric SMILES

CC(CC(CCC1=C(C=CC(=C1)O)CCC(=O)OC)Cl)Cl

InChI

InChI=1S/C16H22Cl2O3/c1-11(17)9-14(18)6-3-13-10-15(19)7-4-12(13)5-8-16(20)21-2/h4,7,10-11,14,19H,3,5-6,8-9H2,1-2H3