methyl 5-[2,3-bis(oxidanyl)phenyl]pentanoate

Systemtic Name: methyl 5-[2,3-bis(oxidanyl)phenyl]pentanoate Openeye Name: methyl 5-(2,3-dihydroxyphenyl)pentanoate CAS Name: 5-(2,3-dihydroxyphenyl)pentanoic acid methyl ester IUPAC Name: methyl 5-(2,3-dihydroxyphenyl)pentanoate Traditional Name: 5-(2,3-dihydroxyphenyl)valeric acid methyl ester Formula: C12H16O4 MolecularWeight: 224.25304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=C(C(=CC=C1)O)O

Isomeric SMILES

COC(=O)CCCCC1=C(C(=CC=C1)O)O

InChI

InChI=1S/C12H16O4/c1-16-11(14)8-3-2-5-9-6-4-7-10(13)12(9)15/h4,6-7,13,15H,2-3,5,8H2,1H3