ethyl (2S)-3-(3-ethanoyl-4-oxidanyl-phenyl)-2-oxidanyl-propanoate

Systemtic Name: ethyl (2S)-3-(3-ethanoyl-4-oxidanyl-phenyl)-2-oxidanyl-propanoate Openeye Name: ethyl (2S)-3-(3-acetyl-4-hydroxy-phenyl)-2-hydroxy-propanoate CAS Name: (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-hydroxypropanoate Traditional Name: (2S)-3-(3-acetyl-4-hydroxy-phenyl)-2-hydroxy-propionic acid ethyl ester Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O5/c1-3-18-13(17)12(16)7-9-4-5-11(15)10(6-9)8(2)14/h4-6,12,15-16H,3,7H2,1-2H3/t12-/m0/s1