sodium 2-methylsulfonyl-1-phenyl-ethanesulfonate

Systemtic Name: sodium 2-methylsulfonyl-1-phenyl-ethanesulfonate Openeye Name: sodium 2-methylsulfonyl-1-phenyl-ethanesulfonate CAS Name: sodium 2-methylsulfonyl-1-phenylethanesulfonate IUPAC Name: sodium 2-methylsulfonyl-1-phenylethanesulfonate Traditional Name: sodium 2-mesyl-1-phenyl-ethanesulfonate Formula: C9H11NaO5S2 MolecularWeight: 286.30041

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C1=CC=CC=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CS(=O)(=O)CC(C1=CC=CC=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H12O5S2.Na/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);/q;+1/p-1