3,5-ditert-butyl-2-(1-octylsulfanylethyl)-4-oxidanyl-benzoate

Systemtic Name: 3,5-ditert-butyl-2-(1-octylsulfanylethyl)-4-oxidanyl-benzoate Openeye Name: 3,5-ditert-butyl-4-hydroxy-2-(1-octylsulfanylethyl)benzoate CAS Name: 3,5-ditert-butyl-4-hydroxy-2-[1-(octylthio)ethyl]benzoate IUPAC Name: 3,5-ditert-butyl-4-hydroxy-2-(1-octylsulfanylethyl)benzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-2-[1-(octylthio)ethyl]benzoate Formula: C25H41O3S- MolecularWeight: 421.65624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(C)C1=C(C(=C(C=C1C(=O)[O-])C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCSC(C)C1=C(C(=C(C=C1C(=O)[O-])C(C)(C)C)O)C(C)(C)C

InChI

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