4-methylbenzenesulfonate; pent-4-en-2-ol

Systemtic Name: 4-methylbenzenesulfonate; pent-4-en-2-ol Openeye Name: 4-methylbenzenesulfonate; pent-4-en-2-ol CAS Name: 4-methylbenzenesulfonate; 4-penten-2-ol IUPAC Name: 4-methylbenzenesulfonate; pent-4-en-2-ol Traditional Name: pent-4-en-2-ol tosylate Formula: C12H17O4S- MolecularWeight: 257.32598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C5H10O/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-4-5(2)6/h2-5H,1H3,(H,8,9,10);3,5-6H,1,4H2,2H3/p-1