methyl 4-oxidanyl-3-pentyl-benzoate

Systemtic Name: methyl 4-oxidanyl-3-pentyl-benzoate Openeye Name: methyl 4-hydroxy-3-pentyl-benzoate CAS Name: 4-hydroxy-3-pentylbenzoic acid methyl ester IUPAC Name: methyl 4-hydroxy-3-pentylbenzoate Traditional Name: 3-amyl-4-hydroxy-benzoic acid methyl ester Formula: C13H18O3 MolecularWeight: 222.28022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1)C(=O)OC)O

Isomeric SMILES

CCCCCC1=C(C=CC(=C1)C(=O)OC)O

InChI

InChI=1S/C13H18O3/c1-3-4-5-6-10-9-11(13(15)16-2)7-8-12(10)14/h7-9,14H,3-6H2,1-2H3