[(2Z)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-thiomorpholin-4-yl]methanesulfonic acid

Systemtic Name: [(2Z)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-thiomorpholin-4-yl]methanesulfonic acid Openeye Name: [(2Z)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-thiomorpholin-4-yl]methanesulfonic acid CAS Name: [(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-4-thiomorpholinyl]methanesulfonic acid IUPAC Name: [(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxothiomorpholin-4-yl]methanesulfonic acid Traditional Name: [(2Z)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-thiomorpholin-4-yl]methanesulfonic acid Formula: C20H29NO5S2 MolecularWeight: 427.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N(CCS2)CS(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N(CCS2)CS(=O)(=O)O

InChI

InChI=1S/C20H29NO5S2/c1-19(2,3)14-9-13(10-15(17(14)22)20(4,5)6)11-16-18(23)21(7-8-27-16)12-28(24,25)26/h9-11,22H,7-8,12H2,1-6H3,(H,24,25,26)/b16-11-