(3R)-3-(4-methoxy-2,5-dimethyl-phenyl)sulfonylbutanoate

Systemtic Name: (3R)-3-(4-methoxy-2,5-dimethyl-phenyl)sulfonylbutanoate Openeye Name: (3R)-3-(4-methoxy-2,5-dimethyl-phenyl)sulfonylbutanoate CAS Name: (3R)-3-(4-methoxy-2,5-dimethylphenyl)sulfonylbutanoate IUPAC Name: (3R)-3-(4-methoxy-2,5-dimethylphenyl)sulfonylbutanoate Traditional Name: (3R)-3-(4-methoxy-2,5-dimethyl-phenyl)sulfonylbutyrate Formula: C13H17O5S- MolecularWeight: 285.33608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)C(C)CC(=O)[O-])C)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)[C@H](C)CC(=O)[O-])C)OC

InChI

InChI=1S/C13H18O5S/c1-8-6-12(9(2)5-11(8)18-4)19(16,17)10(3)7-13(14)15/h5-6,10H,7H2,1-4H3,(H,14,15)/p-1/t10-/m1/s1