2-[[(E)-4-(6-methoxy-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-methoxy-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-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methyl-but-2-enyl]-methylsulfonyl-amino]ethylphosphonic acid CAS Name: 2-[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methylbut-2-enyl]-methylsulfonylamino]ethylphosphonic acid IUPAC Name: 2-[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]-methylsulfonylamino]ethylphosphonic acid Traditional Name: 2-[[(E)-4-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-2-methyl-but-2-enyl]-mesyl-amino]ethylphosphonic acid Formula: C18H26NO9PS MolecularWeight: 463.439101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CN(CCP(=O)(O)O)S(=O)(=O)C)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CN(CCP(=O)(O)O)S(=O)(=O)C)OC

InChI

InChI=1S/C18H26NO9PS/c1-11(9-19(30(4,25)26)7-8-29(22,23)24)5-6-13-16(20)15-14(10-28-18(15)21)12(2)17(13)27-3/h5,20H,6-10H2,1-4H3,(H2,22,23,24)/b11-5+