3-tert-butylsulfanyl-2-tert-butylsulfonyl-benzoic acid

Systemtic Name: 3-tert-butylsulfanyl-2-tert-butylsulfonyl-benzoic acid Openeye Name: 3-tert-butylsulfanyl-2-tert-butylsulfonyl-benzoic acid CAS Name: 2-tert-butylsulfonyl-3-(tert-butylthio)benzoic acid IUPAC Name: 3-tert-butylsulfanyl-2-tert-butylsulfonylbenzoic acid Traditional Name: 2-tert-butylsulfonyl-3-(tert-butylthio)benzoic acid Formula: C15H22O4S2 MolecularWeight: 330.46278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC(=C1S(=O)(=O)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=CC=CC(=C1S(=O)(=O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C15H22O4S2/c1-14(2,3)20-11-9-7-8-10(13(16)17)12(11)21(18,19)15(4,5)6/h7-9H,1-6H3,(H,16,17)