4-(2-oxidanylpropan-2-yl)benzenesulfonic acid

Systemtic Name: 4-(2-oxidanylpropan-2-yl)benzenesulfonic acid Openeye Name: 4-(1-hydroxy-1-methyl-ethyl)benzenesulfonic acid CAS Name: 4-(2-hydroxypropan-2-yl)benzenesulfonic acid IUPAC Name: 4-(2-hydroxypropan-2-yl)benzenesulfonic acid Traditional Name: 4-(1-hydroxy-1-methyl-ethyl)besylic acid Formula: C9H12O4S MolecularWeight: 216.25418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O4S/c1-9(2,10)7-3-5-8(6-4-7)14(11,12)13/h3-6,10H,1-2H3,(H,11,12,13)