5-chloranyl-1-(3,4-dimethoxyphenyl)pentan-1-one

Systemtic Name: 5-chloranyl-1-(3,4-dimethoxyphenyl)pentan-1-one Openeye Name: 5-chloro-1-(3,4-dimethoxyphenyl)pentan-1-one CAS Name: 5-chloro-1-(3,4-dimethoxyphenyl)-1-pentanone IUPAC Name: 5-chloro-1-(3,4-dimethoxyphenyl)pentan-1-one Traditional Name: 5-chloro-1-(3,4-dimethoxyphenyl)pentan-1-one Formula: C13H17ClO3 MolecularWeight: 256.72528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCCCCl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCCCCl)OC

InChI

InChI=1S/C13H17ClO3/c1-16-12-7-6-10(9-13(12)17-2)11(15)5-3-4-8-14/h6-7,9H,3-5,8H2,1-2H3