5-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)pentanoic acid

Systemtic Name: 5-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)pentanoic acid Openeye Name: 5-(4-bromo-2-chloro-6-methyl-phenoxy)pentanoic acid CAS Name: 5-(4-bromo-2-chloro-6-methylphenoxy)pentanoic acid IUPAC Name: 5-(4-bromo-2-chloro-6-methylphenoxy)pentanoic acid Traditional Name: 5-(4-bromo-2-chloro-6-methyl-phenoxy)valeric acid Formula: C12H14BrClO3 MolecularWeight: 321.59476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCCC(=O)O)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCCCCC(=O)O)Cl)Br

InChI

InChI=1S/C12H14BrClO3/c1-8-6-9(13)7-10(14)12(8)17-5-3-2-4-11(15)16/h6-7H,2-5H2,1H3,(H,15,16)