3-(2-butoxy-5-chloranyl-phenyl)propanoate

Systemtic Name: 3-(2-butoxy-5-chloranyl-phenyl)propanoate Openeye Name: 3-(2-butoxy-5-chloro-phenyl)propanoate CAS Name: 3-(2-butoxy-5-chlorophenyl)propanoate IUPAC Name: 3-(2-butoxy-5-chlorophenyl)propanoate Traditional Name: 3-(2-butoxy-5-chloro-phenyl)propionate Formula: C13H16ClO3- MolecularWeight: 255.71734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Cl)CCC(=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Cl)CCC(=O)[O-]

InChI

InChI=1S/C13H17ClO3/c1-2-3-8-17-12-6-5-11(14)9-10(12)4-7-13(15)16/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)/p-1