2-(2,2-dimethylpropoxy)-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-(2,2-dimethylpropoxy)-5-methylsulfonyl-benzoic acid Openeye Name: 2-(2,2-dimethylpropoxy)-5-methylsulfonyl-benzoic acid CAS Name: 2-(2,2-dimethylpropoxy)-5-methylsulfonylbenzoic acid IUPAC Name: 2-(2,2-dimethylpropoxy)-5-methylsulfonylbenzoic acid Traditional Name: 5-mesyl-2-neopentyloxy-benzoic acid Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O

InChI

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