3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanethioic S-acid

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanethioic S-acid Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanethioic S-acid CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanethioic S-acid IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanethioic S-acid Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)thiopropionic acid Formula: C17H26O2S MolecularWeight: 294.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)S

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)S

InChI

InChI=1S/C17H26O2S/c1-16(2,3)12-9-11(7-8-14(18)20)10-13(15(12)19)17(4,5)6/h9-10,19H,7-8H2,1-6H3,(H,18,20)