3,5-ditert-butyl-2-octylsulfanyl-4-oxidanyl-benzoic acid

Systemtic Name: 3,5-ditert-butyl-2-octylsulfanyl-4-oxidanyl-benzoic acid Openeye Name: 3,5-ditert-butyl-4-hydroxy-2-octylsulfanyl-benzoic acid CAS Name: 3,5-ditert-butyl-4-hydroxy-2-(octylthio)benzoic acid IUPAC Name: 3,5-ditert-butyl-4-hydroxy-2-octylsulfanylbenzoic acid Traditional Name: 3,5-ditert-butyl-4-hydroxy-2-(octylthio)benzoic acid Formula: C23H38O3S MolecularWeight: 394.61102

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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)