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

Systemtic Name: 7-[(2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]heptylphosphonic acid Openeye Name: 7-[(2E)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]heptylphosphonic acid CAS Name: 7-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]heptylphosphonic acid IUPAC Name: 7-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]heptylphosphonic acid Traditional Name: 7-[(2E)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-benzothiazin-4-yl]heptylphosphonic acid Formula: C30H42NO5PS MolecularWeight: 559.696941

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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)CCCCCCCP(=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)CCCCCCCP(=O)(O)O

InChI

InChI=1S/C30H42NO5PS/c1-29(2,3)22-18-21(19-23(27(22)32)30(4,5)6)20-26-28(33)31(24-14-10-11-15-25(24)38-26)16-12-8-7-9-13-17-37(34,35)36/h10-11,14-15,18-20,32H,7-9,12-13,16-17H2,1-6H3,(H2,34,35,36)/b26-20+