(3R)-3-(2,4,6-trimethylphenyl)sulfonylbutanoate

Systemtic Name: (3R)-3-(2,4,6-trimethylphenyl)sulfonylbutanoate Openeye Name: (3R)-3-(2,4,6-trimethylphenyl)sulfonylbutanoate CAS Name: (3R)-3-(2,4,6-trimethylphenyl)sulfonylbutanoate IUPAC Name: (3R)-3-(2,4,6-trimethylphenyl)sulfonylbutanoate Traditional Name: (3R)-3-mesitylsulfonylbutyrate Formula: C13H17O4S- MolecularWeight: 269.33668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-8-5-9(2)13(10(3)6-8)18(16,17)11(4)7-12(14)15/h5-6,11H,7H2,1-4H3,(H,14,15)/p-1/t11-/m1/s1