3-(2-hydroxyethylsulfanylmethyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-(2-hydroxyethylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 3-(2-hydroxyethylsulfanylmethyl)benzofuran-2-carboxylic acid CAS Name: 3-[(2-hydroxyethylthio)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-(2-hydroxyethylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(2-hydroxyethylthio)methyl]coumarilic acid Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CSCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CSCCO

InChI

InChI=1S/C12H12O4S/c13-5-6-17-7-9-8-3-1-2-4-10(8)16-11(9)12(14)15/h1-4,13H,5-7H2,(H,14,15)