2-(4-methylsulfonylphenyl)ethanesulfonic acid

Systemtic Name: 2-(4-methylsulfonylphenyl)ethanesulfonic acid Openeye Name: 2-(4-methylsulfonylphenyl)ethanesulfonic acid CAS Name: 2-(4-methylsulfonylphenyl)ethanesulfonic acid IUPAC Name: 2-(4-methylsulfonylphenyl)ethanesulfonic acid Traditional Name: 2-(4-mesylphenyl)ethanesulfonic acid Formula: C9H12O5S2 MolecularWeight: 264.31858

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CCS(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CCS(=O)(=O)O

InChI

InChI=1S/C9H12O5S2/c1-15(10,11)9-4-2-8(3-5-9)6-7-16(12,13)14/h2-5H,6-7H2,1H3,(H,12,13,14)