2-methylsulfonylethyl 4-butan-2-ylbenzenesulfonate

Systemtic Name: 2-methylsulfonylethyl 4-butan-2-ylbenzenesulfonate Openeye Name: 2-methylsulfonylethyl 4-sec-butylbenzenesulfonate CAS Name: 4-butan-2-ylbenzenesulfonic acid 2-methylsulfonylethyl ester IUPAC Name: 2-methylsulfonylethyl 4-butan-2-ylbenzenesulfonate Traditional Name: 4-sec-butylbenzenesulfonic acid 2-mesylethyl ester Formula: C13H20O5S2 MolecularWeight: 320.4249

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OCCS(=O)(=O)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C13H20O5S2/c1-4-11(2)12-5-7-13(8-6-12)20(16,17)18-9-10-19(3,14)15/h5-8,11H,4,9-10H2,1-3H3