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

Systemtic Name: 3-[(2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]propylphosphonic acid Openeye Name: 3-[(2E)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]propylphosphonic acid CAS Name: 3-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]propylphosphonic acid IUPAC Name: 3-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]propylphosphonic acid Traditional Name: 3-[(2E)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-benzothiazin-4-yl]propylphosphonic acid Formula: C26H34NO5PS MolecularWeight: 503.590621

Click to see the large picture

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)CCCP(=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)CCCP(=O)(O)O

InChI

InChI=1S/C26H34NO5PS/c1-25(2,3)18-14-17(15-19(23(18)28)26(4,5)6)16-22-24(29)27(12-9-13-33(30,31)32)20-10-7-8-11-21(20)34-22/h7-8,10-11,14-16,28H,9,12-13H2,1-6H3,(H2,30,31,32)/b22-16+