5-(4-chloranyl-2-methyl-phenoxy)pentanoate

Systemtic Name: 5-(4-chloranyl-2-methyl-phenoxy)pentanoate Openeye Name: 5-(4-chloro-2-methyl-phenoxy)pentanoate CAS Name: 5-(4-chloro-2-methylphenoxy)pentanoate IUPAC Name: 5-(4-chloro-2-methylphenoxy)pentanoate Traditional Name: 5-(4-chloro-2-methyl-phenoxy)valerate Formula: C12H14ClO3- MolecularWeight: 241.69076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCCC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCCC(=O)[O-]

InChI

InChI=1S/C12H15ClO3/c1-9-8-10(13)5-6-11(9)16-7-3-2-4-12(14)15/h5-6,8H,2-4,7H2,1H3,(H,14,15)/p-1