methyl (2S)-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-propanoate

Systemtic Name: methyl (2S)-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-propanoate Openeye Name: methyl (2S)-3-(3,4-dihydroxyphenyl)-2-hydroxy-propanoate CAS Name: (2S)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate Traditional Name: (2S)-3-(3,4-dihydroxyphenyl)-2-hydroxy-propionic acid methyl ester Formula: C10H12O5 MolecularWeight: 212.19928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C=C1)O)O)O

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C(C=C1)O)O)O

InChI

InChI=1S/C10H12O5/c1-15-10(14)9(13)5-6-2-3-7(11)8(12)4-6/h2-4,9,11-13H,5H2,1H3/t9-/m0/s1