5-(4-chloranyl-2,6-dimethyl-phenoxy)pentanoic acid

Systemtic Name: 5-(4-chloranyl-2,6-dimethyl-phenoxy)pentanoic acid Openeye Name: 5-(4-chloro-2,6-dimethyl-phenoxy)pentanoic acid CAS Name: 5-(4-chloro-2,6-dimethylphenoxy)pentanoic acid IUPAC Name: 5-(4-chloro-2,6-dimethylphenoxy)pentanoic acid Traditional Name: 5-(4-chloro-2,6-dimethyl-phenoxy)valeric acid Formula: C13H17ClO3 MolecularWeight: 256.72528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClO3/c1-9-7-11(14)8-10(2)13(9)17-6-4-3-5-12(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)