4-methylbenzenesulfonate; 1-thiophen-2-ylpropan-2-ol

Systemtic Name: 4-methylbenzenesulfonate; 1-thiophen-2-ylpropan-2-ol Openeye Name: 4-methylbenzenesulfonate; 1-(2-thienyl)propan-2-ol CAS Name: 4-methylbenzenesulfonate; 1-thiophen-2-yl-2-propanol IUPAC Name: 4-methylbenzenesulfonate; 1-thiophen-2-ylpropan-2-ol Traditional Name: 1-(2-thienyl)propan-2-ol tosylate Formula: C14H17O4S2- MolecularWeight: 313.41238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(CC1=CC=CS1)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(CC1=CC=CS1)O

InChI

InChI=1S/C7H8O3S.C7H10OS/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(8)5-7-3-2-4-9-7/h2-5H,1H3,(H,8,9,10);2-4,6,8H,5H2,1H3/p-1