2-[(2S)-3,3-dimethylbutan-2-yl]oxy-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-[(2S)-3,3-dimethylbutan-2-yl]oxy-5-methylsulfonyl-benzoic acid Openeye Name: 5-methylsulfonyl-2-[(1S)-1,2,2-trimethylpropoxy]benzoic acid CAS Name: 2-[(2S)-3,3-dimethylbutan-2-yl]oxy-5-methylsulfonylbenzoic acid IUPAC Name: 2-[(2S)-3,3-dimethylbutan-2-yl]oxy-5-methylsulfonylbenzoic acid Traditional Name: 5-mesyl-2-[(1S)-1,2,2-trimethylpropoxy]benzoic acid Formula: C14H20O5S MolecularWeight: 300.3706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O

Isomeric SMILES

C[C@@H](C(C)(C)C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C14H20O5S/c1-9(14(2,3)4)19-12-7-6-10(20(5,17)18)8-11(12)13(15)16/h6-9H,1-5H3,(H,15,16)/t9-/m0/s1