7-(sulfomethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 7-(sulfomethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 7-(sulfomethyl)-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 7-(sulfomethyl)-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 7-(sulfomethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 7-(sulfomethyl)coumaran-2-carboxylic acid Formula: C10H10O6S MolecularWeight: 258.2478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=CC=C2CS(=O)(=O)O)C(=O)O

Isomeric SMILES

C1C(OC2=C1C=CC=C2CS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C10H10O6S/c11-10(12)8-4-6-2-1-3-7(9(6)16-8)5-17(13,14)15/h1-3,8H,4-5H2,(H,11,12)(H,13,14,15)