3-[[4-(hydroxymethyl)-2-methyl-2,4-dihydro-1-benzofuran-6-yl]sulfanyl]-2-oxidanyl-propanoic acid

Systemtic Name: 3-[[4-(hydroxymethyl)-2-methyl-2,4-dihydro-1-benzofuran-6-yl]sulfanyl]-2-oxidanyl-propanoic acid Openeye Name: 2-hydroxy-3-[[4-(hydroxymethyl)-2-methyl-2,4-dihydrobenzofuran-6-yl]sulfanyl]propanoic acid CAS Name: 2-hydroxy-3-[[4-(hydroxymethyl)-2-methyl-2,4-dihydrobenzofuran-6-yl]thio]propanoic acid IUPAC Name: 2-hydroxy-3-[[4-(hydroxymethyl)-2-methyl-2,4-dihydro-1-benzofuran-6-yl]sulfanyl]propanoic acid Traditional Name: 2-hydroxy-3-[(2-methyl-4-methylol-2,4-dihydrobenzofuran-6-yl)thio]propionic acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C2C(C=C(C=C2O1)SCC(C(=O)O)O)CO

Isomeric SMILES

CC1C=C2C(C=C(C=C2O1)SCC(C(=O)O)O)CO

InChI

InChI=1S/C13H16O5S/c1-7-2-10-8(5-14)3-9(4-12(10)18-7)19-6-11(15)13(16)17/h2-4,7-8,11,14-15H,5-6H2,1H3,(H,16,17)