2-[[(E)-4-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-2-methyl-but-2-enyl]-methylsulfonyl-amino]ethylphosphonic acid

Systemtic Name: 2-[[(E)-4-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-2-methyl-but-2-enyl]-methylsulfonyl-amino]ethylphosphonic acid Openeye Name: 2-[[(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methyl-but-2-enyl]-methylsulfonyl-amino]ethylphosphonic acid CAS Name: 2-[[(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methylbut-2-enyl]-methylsulfonylamino]ethylphosphonic acid IUPAC Name: 2-[[(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]-methylsulfonylamino]ethylphosphonic acid Traditional Name: 2-[[(E)-4-(6-ethyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)-2-methyl-but-2-enyl]-mesyl-amino]ethylphosphonic acid Formula: C19H28NO8PS MolecularWeight: 461.466281

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=C(C)CN(CCP(=O)(O)O)S(=O)(=O)C)O)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C(\C)/CN(CCP(=O)(O)O)S(=O)(=O)C)O)C(=O)OC2)C

InChI

InChI=1S/C19H28NO8PS/c1-5-14-13(3)16-11-28-19(22)17(16)18(21)15(14)7-6-12(2)10-20(30(4,26)27)8-9-29(23,24)25/h6,21H,5,7-11H2,1-4H3,(H2,23,24,25)/b12-6+