5-(1-benzofuran-3-yl)pentane-1-sulfonic acid

Systemtic Name: 5-(1-benzofuran-3-yl)pentane-1-sulfonic acid Openeye Name: 5-(benzofuran-3-yl)pentane-1-sulfonic acid CAS Name: 5-(3-benzofuranyl)-1-pentanesulfonic acid IUPAC Name: 5-(1-benzofuran-3-yl)pentane-1-sulfonic acid Traditional Name: 5-(benzofuran-3-yl)pentane-1-sulfonic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4S/c14-18(15,16)9-5-1-2-6-11-10-17-13-8-4-3-7-12(11)13/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,15,16)