sodium 3-methyl-1-oxidanyl-1-phenyl-butane-1-sulfonate

Systemtic Name: sodium 3-methyl-1-oxidanyl-1-phenyl-butane-1-sulfonate Openeye Name: sodium 1-hydroxy-3-methyl-1-phenyl-butane-1-sulfonate CAS Name: sodium 1-hydroxy-3-methyl-1-phenyl-1-butanesulfonate IUPAC Name: sodium 1-hydroxy-3-methyl-1-phenylbutane-1-sulfonate Traditional Name: sodium 1-hydroxy-3-methyl-1-phenyl-butane-1-sulfonate Formula: C11H15NaO4S MolecularWeight: 266.28917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O4S.Na/c1-9(2)8-11(12,16(13,14)15)10-6-4-3-5-7-10;/h3-7,9,12H,8H2,1-2H3,(H,13,14,15);/q;+1/p-1