4-oxidanylpentan-2-yl benzenesulfonate

Systemtic Name: 4-oxidanylpentan-2-yl benzenesulfonate Openeye Name: (3-hydroxy-1-methyl-butyl) benzenesulfonate CAS Name: benzenesulfonic acid 4-hydroxypentan-2-yl ester IUPAC Name: 4-hydroxypentan-2-yl benzenesulfonate Traditional Name: benzenesulfonic acid (3-hydroxy-1-methyl-butyl) ester Formula: C11H16O4S MolecularWeight: 244.30734

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)OS(=O)(=O)C1=CC=CC=C1)O

Isomeric SMILES

CC(CC(C)OS(=O)(=O)C1=CC=CC=C1)O

InChI

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