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

Systemtic Name: [(2E)-2-[(4-acetyloxy-3,5-ditert-butyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]methylphosphonic acid Openeye Name: [(2E)-2-[(4-acetoxy-3,5-ditert-butyl-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]methylphosphonic acid CAS Name: [(2E)-2-[(4-acetyloxy-3,5-ditert-butylphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]methylphosphonic acid IUPAC Name: [(2E)-2-[(4-acetyloxy-3,5-ditert-butylphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]methylphosphonic acid Traditional Name: [(2E)-2-(4-acetoxy-3,5-ditert-butyl-benzylidene)-3-keto-1,4-benzothiazin-4-yl]methylphosphonic acid Formula: C26H32NO6PS MolecularWeight: 517.574141

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1C(C)(C)C)C=C2C(=O)N(C3=CC=CC=C3S2)CP(=O)(O)O)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1C(C)(C)C)/C=C/2\C(=O)N(C3=CC=CC=C3S2)CP(=O)(O)O)C(C)(C)C

InChI

InChI=1S/C26H32NO6PS/c1-16(28)33-23-18(25(2,3)4)12-17(13-19(23)26(5,6)7)14-22-24(29)27(15-34(30,31)32)20-10-8-9-11-21(20)35-22/h8-14H,15H2,1-7H3,(H2,30,31,32)/b22-14+