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

Systemtic Name: (3R)-3-(2-methoxy-4,5-dimethyl-phenyl)sulfonylbutanoic acid Openeye Name: (3R)-3-(2-methoxy-4,5-dimethyl-phenyl)sulfonylbutanoic acid CAS Name: (3R)-3-(2-methoxy-4,5-dimethylphenyl)sulfonylbutanoic acid IUPAC Name: (3R)-3-(2-methoxy-4,5-dimethylphenyl)sulfonylbutanoic acid Traditional Name: (3R)-3-(2-methoxy-4,5-dimethyl-phenyl)sulfonylbutyric acid Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)C(C)CC(=O)O)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)[C@H](C)CC(=O)O)OC

InChI

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