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

Systemtic Name: 2-octylsulfanylethyl 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: 2-octylsulfanylethyl 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid 2-(octylthio)ethyl ester IUPAC Name: 2-octylsulfanylethyl 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid 2-(octylthio)ethyl ester Formula: C25H42O3S MolecularWeight: 422.66418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCSCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C25H42O3S/c1-8-9-10-11-12-13-15-29-16-14-28-23(27)19-17-20(24(2,3)4)22(26)21(18-19)25(5,6)7/h17-18,26H,8-16H2,1-7H3