methyl 2-(4-chloranylbutyl)-5-oxidanyl-benzoate

Systemtic Name: methyl 2-(4-chloranylbutyl)-5-oxidanyl-benzoate Openeye Name: methyl 2-(4-chlorobutyl)-5-hydroxy-benzoate CAS Name: 2-(4-chlorobutyl)-5-hydroxybenzoic acid methyl ester IUPAC Name: methyl 2-(4-chlorobutyl)-5-hydroxybenzoate Traditional Name: 2-(4-chlorobutyl)-5-hydroxy-benzoic acid methyl ester Formula: C12H15ClO3 MolecularWeight: 242.6987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)O)CCCCCl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)O)CCCCCl

InChI

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