methyl 4-[4-(2-chloranyl-1-oxidanyl-ethyl)phenyl]butanoate

Systemtic Name: methyl 4-[4-(2-chloranyl-1-oxidanyl-ethyl)phenyl]butanoate Openeye Name: methyl 4-[4-(2-chloro-1-hydroxy-ethyl)phenyl]butanoate CAS Name: 4-[4-(2-chloro-1-hydroxyethyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(2-chloro-1-hydroxyethyl)phenyl]butanoate Traditional Name: 4-[4-(2-chloro-1-hydroxy-ethyl)phenyl]butyric acid methyl ester Formula: C13H17ClO3 MolecularWeight: 256.72528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)C(CCl)O

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)C(CCl)O

InChI

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