4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(3,5-ditert-butyl-4-hydroxyphenyl)thio]methyl]benzoic acid IUPAC Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]methyl]benzoic acid Formula: C22H28O3S MolecularWeight: 372.52092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H28O3S/c1-21(2,3)17-11-16(12-18(19(17)23)22(4,5)6)26-13-14-7-9-15(10-8-14)20(24)25/h7-12,23H,13H2,1-6H3,(H,24,25)