2-[1-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethylsulfonyl]ethanoic acid

Systemtic Name: 2-[1-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethylsulfonyl]ethanoic acid Openeye Name: 2-[1-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylethylsulfonyl]acetic acid CAS Name: 2-[1-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]ethylsulfonyl]acetic acid IUPAC Name: 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylethylsulfonyl]acetic acid Traditional Name: 2-[1-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]ethylsulfonyl]acetic acid Formula: C18H28O5S2 MolecularWeight: 388.54192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(SC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)S(=O)(=O)CC(=O)O

Isomeric SMILES

CC(SC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C18H28O5S2/c1-11(25(22,23)10-15(19)20)24-12-8-13(17(2,3)4)16(21)14(9-12)18(5,6)7/h8-9,11,21H,10H2,1-7H3,(H,19,20)