[(2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]methanesulfonic acid

Systemtic Name: [(2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]methanesulfonic acid Openeye Name: [(2E)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]methanesulfonic acid CAS Name: [(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]methanesulfonic acid IUPAC Name: [(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]methanesulfonic acid Traditional Name: [(2E)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-benzothiazin-4-yl]methanesulfonic acid Formula: C24H29NO5S2 MolecularWeight: 475.62076

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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(C3=CC=CC=C3S2)CS(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\C(=O)N(C3=CC=CC=C3S2)CS(=O)(=O)O

InChI

InChI=1S/C24H29NO5S2/c1-23(2,3)16-11-15(12-17(21(16)26)24(4,5)6)13-20-22(27)25(14-32(28,29)30)18-9-7-8-10-19(18)31-20/h7-13,26H,14H2,1-6H3,(H,28,29,30)/b20-13+