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

Systemtic Name: 3-(ethylsulfonylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 3-(ethylsulfonylmethyl)benzofuran-2-carboxylic acid CAS Name: 3-(ethylsulfonylmethyl)-2-benzofurancarboxylic acid IUPAC Name: 3-(ethylsulfonylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 3-(esylmethyl)coumarilic acid Formula: C12H12O5S MolecularWeight: 268.28568

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CC1=C(OC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCS(=O)(=O)CC1=C(OC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C12H12O5S/c1-2-18(15,16)7-9-8-5-3-4-6-10(8)17-11(9)12(13)14/h3-6H,2,7H2,1H3,(H,13,14)