2-methylsulfonyl-1-phenyl-ethanesulfonic acid

Systemtic Name: 2-methylsulfonyl-1-phenyl-ethanesulfonic acid Openeye Name: 2-methylsulfonyl-1-phenyl-ethanesulfonic acid CAS Name: 2-methylsulfonyl-1-phenylethanesulfonic acid IUPAC Name: 2-methylsulfonyl-1-phenylethanesulfonic acid Traditional Name: 2-mesyl-1-phenyl-ethanesulfonic acid Formula: C9H12O5S2 MolecularWeight: 264.31858

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)CC(C1=CC=CC=C1)S(=O)(=O)O

InChI

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