3-methyl-1-oxidanyl-1-phenyl-butane-1-sulfonic acid

Systemtic Name: 3-methyl-1-oxidanyl-1-phenyl-butane-1-sulfonic acid Openeye Name: 1-hydroxy-3-methyl-1-phenyl-butane-1-sulfonic acid CAS Name: 1-hydroxy-3-methyl-1-phenyl-1-butanesulfonic acid IUPAC Name: 1-hydroxy-3-methyl-1-phenylbutane-1-sulfonic acid Traditional Name: 1-hydroxy-3-methyl-1-phenyl-butane-1-sulfonic acid Formula: C11H16O4S MolecularWeight: 244.30734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)(O)S(=O)(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)(O)S(=O)(=O)O

InChI

InChI=1S/C11H16O4S/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)