1-octylsulfanylethyl 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: 1-octylsulfanylethyl 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: 1-octylsulfanylethyl 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid 1-(octylthio)ethyl ester IUPAC Name: 1-octylsulfanylethyl 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid 1-(octylthio)ethyl ester Formula: C25H42O3S MolecularWeight: 422.66418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(C)OC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCSC(C)OC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C25H42O3S/c1-9-10-11-12-13-14-15-29-18(2)28-23(27)19-16-20(24(3,4)5)22(26)21(17-19)25(6,7)8/h16-18,26H,9-15H2,1-8H3