3-(1-benzofuran-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(1-benzofuran-3-yl)propane-1-sulfonic acid Openeye Name: 3-(benzofuran-3-yl)propane-1-sulfonic acid CAS Name: 3-(3-benzofuranyl)-1-propanesulfonic acid IUPAC Name: 3-(1-benzofuran-3-yl)propane-1-sulfonic acid Traditional Name: 3-(benzofuran-3-yl)propane-1-sulfonic acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CO2)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CO2)CCCS(=O)(=O)O

InChI

InChI=1S/C11H12O4S/c12-16(13,14)7-3-4-9-8-15-11-6-2-1-5-10(9)11/h1-2,5-6,8H,3-4,7H2,(H,12,13,14)