3-(2-tert-butyl-4-chloranylsulfonyl-phenoxy)propanoic acid

Systemtic Name: 3-(2-tert-butyl-4-chloranylsulfonyl-phenoxy)propanoic acid Openeye Name: 3-(2-tert-butyl-4-chlorosulfonyl-phenoxy)propanoic acid CAS Name: 3-(2-tert-butyl-4-chlorosulfonylphenoxy)propanoic acid IUPAC Name: 3-(2-tert-butyl-4-chlorosulfonylphenoxy)propanoic acid Traditional Name: 3-(2-tert-butyl-4-chlorosulfonyl-phenoxy)propionic acid Formula: C13H17ClO5S MolecularWeight: 320.78908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)S(=O)(=O)Cl)OCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)S(=O)(=O)Cl)OCCC(=O)O

InChI

InChI=1S/C13H17ClO5S/c1-13(2,3)10-8-9(20(14,17)18)4-5-11(10)19-7-6-12(15)16/h4-5,8H,6-7H2,1-3H3,(H,15,16)