4-methylbenzenesulfonate; 2-thiophen-2-ylethanol

Systemtic Name: 4-methylbenzenesulfonate; 2-thiophen-2-ylethanol Openeye Name: 4-methylbenzenesulfonate; 2-(2-thienyl)ethanol CAS Name: 4-methylbenzenesulfonate; 2-thiophen-2-ylethanol IUPAC Name: 4-methylbenzenesulfonate; 2-thiophen-2-ylethanol Traditional Name: 2-(2-thienyl)ethanol tosylate Formula: C13H15O4S2- MolecularWeight: 299.3858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H8OS/c1-6-2-4-7(5-3-6)11(8,9)10;7-4-3-6-2-1-5-8-6/h2-5H,1H3,(H,8,9,10);1-2,5,7H,3-4H2/p-1