8-(1-benzofuran-3-yl)octane-1-sulfonic acid

Systemtic Name: 8-(1-benzofuran-3-yl)octane-1-sulfonic acid Openeye Name: 8-(benzofuran-3-yl)octane-1-sulfonic acid CAS Name: 8-(3-benzofuranyl)-1-octanesulfonic acid IUPAC Name: 8-(1-benzofuran-3-yl)octane-1-sulfonic acid Traditional Name: 8-(benzofuran-3-yl)octane-1-sulfonic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O4S/c17-21(18,19)12-8-4-2-1-3-5-9-14-13-20-16-11-7-6-10-15(14)16/h6-7,10-11,13H,1-5,8-9,12H2,(H,17,18,19)