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

Systemtic Name: (2S)-3-(3-ethanoyl-4-oxidanyl-phenyl)-2-oxidanyl-propanoate Openeye Name: (2S)-3-(3-acetyl-4-hydroxy-phenyl)-2-hydroxy-propanoate CAS Name: (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-hydroxypropanoate IUPAC Name: (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-hydroxypropanoate Traditional Name: (2S)-3-(3-acetyl-4-hydroxy-phenyl)-2-hydroxy-propionate Formula: C11H11O5- MolecularWeight: 223.20204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)CC(C(=O)[O-])O)O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)C[C@@H](C(=O)[O-])O)O

InChI

InChI=1S/C11H12O5/c1-6(12)8-4-7(2-3-9(8)13)5-10(14)11(15)16/h2-4,10,13-14H,5H2,1H3,(H,15,16)/p-1/t10-/m0/s1