1,1-bis(methylsulfanyl)ethanol; 4-methylbenzenesulfonate

Systemtic Name: 1,1-bis(methylsulfanyl)ethanol; 4-methylbenzenesulfonate Openeye Name: 1,1-bis(methylsulfanyl)ethanol; 4-methylbenzenesulfonate CAS Name: 1,1-bis(methylthio)ethanol; 4-methylbenzenesulfonate IUPAC Name: 1,1-bis(methylsulfanyl)ethanol; 4-methylbenzenesulfonate Traditional Name: 1,1-bis(methylthio)ethanol tosylate Formula: C11H17O4S3- MolecularWeight: 309.44528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C4H10OS2/c1-6-2-4-7(5-3-6)11(8,9)10;1-4(5,6-2)7-3/h2-5H,1H3,(H,8,9,10);5H,1-3H3/p-1