octan-3-yl 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]-2-oxidanyl-ethanoate

Systemtic Name: octan-3-yl 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]-2-oxidanyl-ethanoate Openeye Name: 1-ethylhexyl 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylsulfanyl]-2-hydroxy-acetate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylthio]-2-hydroxyacetic acid octan-3-yl ester IUPAC Name: octan-3-yl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]-2-hydroxyacetate Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-benzyl)thio]-2-hydroxy-acetic acid 1-ethylhexyl ester Formula: C25H42O4S MolecularWeight: 438.66358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)C(O)SCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCC(CC)OC(=O)C(O)SCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C25H42O4S/c1-9-11-12-13-18(10-2)29-22(27)23(28)30-16-17-14-19(24(3,4)5)21(26)20(15-17)25(6,7)8/h14-15,18,23,26,28H,9-13,16H2,1-8H3