2-(tert-butylsulfonylmethyl)benzoic acid

Systemtic Name: 2-(tert-butylsulfonylmethyl)benzoic acid Openeye Name: 2-(tert-butylsulfonylmethyl)benzoic acid CAS Name: 2-(tert-butylsulfonylmethyl)benzoic acid IUPAC Name: 2-(tert-butylsulfonylmethyl)benzoic acid Traditional Name: 2-(tert-butylsulfonylmethyl)benzoic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-12(2,3)17(15,16)8-9-6-4-5-7-10(9)11(13)14/h4-7H,8H2,1-3H3,(H,13,14)