3-[2-(tert-butylsulfonylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(tert-butylsulfonylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-(tert-butylsulfonylmethyl)phenyl]propanoic acid CAS Name: 3-[2-(tert-butylsulfonylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(tert-butylsulfonylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-(tert-butylsulfonylmethyl)phenyl]propionic acid Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC1=CC=CC=C1CCC(=O)O

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC1=CC=CC=C1CCC(=O)O

InChI

InChI=1S/C14H20O4S/c1-14(2,3)19(17,18)10-12-7-5-4-6-11(12)8-9-13(15)16/h4-7H,8-10H2,1-3H3,(H,15,16)