(E)-but-2-en-1-ol; 4-methylbenzenesulfonate

Systemtic Name: (E)-but-2-en-1-ol; 4-methylbenzenesulfonate Openeye Name: (E)-but-2-en-1-ol; 4-methylbenzenesulfonate CAS Name: (E)-2-buten-1-ol; 4-methylbenzenesulfonate IUPAC Name: (E)-but-2-en-1-ol; 4-methylbenzenesulfonate Traditional Name: (E)-but-2-en-1-ol tosylate Formula: C11H15O4S- MolecularWeight: 243.2994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C4H8O/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-3-4-5/h2-5H,1H3,(H,8,9,10);2-3,5H,4H2,1H3/p-1/b;3-2+