12-(1-benzofuran-3-yl)dodecane-1-sulfonic acid

Systemtic Name: 12-(1-benzofuran-3-yl)dodecane-1-sulfonic acid Openeye Name: 12-(benzofuran-3-yl)dodecane-1-sulfonic acid CAS Name: 12-(3-benzofuranyl)-1-dodecanesulfonic acid IUPAC Name: 12-(1-benzofuran-3-yl)dodecane-1-sulfonic acid Traditional Name: 12-(benzofuran-3-yl)dodecane-1-sulfonic acid Formula: C20H30O4S MolecularWeight: 366.5148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30O4S/c21-25(22,23)16-12-8-6-4-2-1-3-5-7-9-13-18-17-24-20-15-11-10-14-19(18)20/h10-11,14-15,17H,1-9,12-13,16H2,(H,21,22,23)