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

Systemtic Name: 3,5-ditert-butyl-2-octylsulfanyl-4-oxidanyl-benzoate Openeye Name: 3,5-ditert-butyl-4-hydroxy-2-octylsulfanyl-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxy-2-(octylthio)benzoate IUPAC Name: 3,5-ditert-butyl-4-hydroxy-2-octylsulfanylbenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-2-(octylthio)benzoate Formula: C23H37O3S- MolecularWeight: 393.60308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(C(=C(C=C1C(=O)[O-])C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCSC1=C(C(=C(C=C1C(=O)[O-])C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C23H38O3S/c1-8-9-10-11-12-13-14-27-20-16(21(25)26)15-17(22(2,3)4)19(24)18(20)23(5,6)7/h15,24H,8-14H2,1-7H3,(H,25,26)/p-1