5-(2-methylsulfonyloxyphenyl)pentane-1-sulfonic acid

Systemtic Name: 5-(2-methylsulfonyloxyphenyl)pentane-1-sulfonic acid Openeye Name: 5-(2-methylsulfonyloxyphenyl)pentane-1-sulfonic acid CAS Name: 5-(2-methylsulfonyloxyphenyl)-1-pentanesulfonic acid IUPAC Name: 5-(2-methylsulfonyloxyphenyl)pentane-1-sulfonic acid Traditional Name: 5-(2-methylsulfonyloxyphenyl)pentane-1-sulfonic acid Formula: C12H18O6S2 MolecularWeight: 322.39772

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC=C1CCCCCS(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC=C1CCCCCS(=O)(=O)O

InChI

InChI=1S/C12H18O6S2/c1-19(13,14)18-12-9-5-4-8-11(12)7-3-2-6-10-20(15,16)17/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,15,16,17)