7-[(2Z)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-thiazin-4-yl]heptylphosphonic acid

Systemtic Name: 7-[(2Z)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-thiazin-4-yl]heptylphosphonic acid Openeye Name: 7-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-thiazin-4-yl]heptylphosphonic acid CAS Name: 7-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-thiazin-4-yl]heptylphosphonic acid IUPAC Name: 7-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-thiazin-4-yl]heptylphosphonic acid Traditional Name: 7-[(2Z)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-thiazin-4-yl]heptylphosphonic acid Formula: C26H40NO5PS MolecularWeight: 509.638261

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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(C=CS2)CCCCCCCP(=O)(O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N(C=CS2)CCCCCCCP(=O)(O)O

InChI

InChI=1S/C26H40NO5PS/c1-25(2,3)20-16-19(17-21(23(20)28)26(4,5)6)18-22-24(29)27(13-15-34-22)12-10-8-7-9-11-14-33(30,31)32/h13,15-18,28H,7-12,14H2,1-6H3,(H2,30,31,32)/b22-18-