2-[3,5-ditert-butyl-4-(2-sulfanylethanoyloxy)phenyl]propanoic acid

Systemtic Name: 2-[3,5-ditert-butyl-4-(2-sulfanylethanoyloxy)phenyl]propanoic acid Openeye Name: 2-[3,5-ditert-butyl-4-(2-sulfanylacetyl)oxy-phenyl]propanoic acid CAS Name: 2-[3,5-ditert-butyl-4-(2-mercapto-1-oxoethoxy)phenyl]propanoic acid IUPAC Name: 2-[3,5-ditert-butyl-4-(2-sulfanylacetyl)oxyphenyl]propanoic acid Traditional Name: 2-[3,5-ditert-butyl-4-(2-mercaptoacetyl)oxy-phenyl]propionic acid Formula: C19H28O4S MolecularWeight: 352.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C(=C1)C(C)(C)C)OC(=O)CS)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C(=C1)C(C)(C)C)OC(=O)CS)C(C)(C)C)C(=O)O

InChI

InChI=1S/C19H28O4S/c1-11(17(21)22)12-8-13(18(2,3)4)16(23-15(20)10-24)14(9-12)19(5,6)7/h8-9,11,24H,10H2,1-7H3,(H,21,22)