2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]decanoic acid

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]decanoic acid Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylsulfanyl]decanoic acid CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylthio]decanoic acid IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]decanoic acid Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-benzyl)thio]capric acid Formula: C25H42O3S MolecularWeight: 422.66418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)O)SCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCC(C(=O)O)SCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C25H42O3S/c1-8-9-10-11-12-13-14-21(23(27)28)29-17-18-15-19(24(2,3)4)22(26)20(16-18)25(5,6)7/h15-16,21,26H,8-14,17H2,1-7H3,(H,27,28)