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

Systemtic Name: 2-[(2Z)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-thiazin-4-yl]ethylphosphonic acid Openeye Name: 2-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-thiazin-4-yl]ethylphosphonic acid CAS Name: 2-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-thiazin-4-yl]ethylphosphonic acid IUPAC Name: 2-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-thiazin-4-yl]ethylphosphonic acid Traditional Name: 2-[(2Z)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-thiazin-4-yl]ethylphosphonic acid Formula: C21H30NO5PS MolecularWeight: 439.505361

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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)CCP(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H30NO5PS/c1-20(2,3)15-11-14(12-16(18(15)23)21(4,5)6)13-17-19(24)22(8-10-29-17)7-9-28(25,26)27/h8,10-13,23H,7,9H2,1-6H3,(H2,25,26,27)/b17-13-