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

Systemtic Name: 2-[[(E)-4-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-2-methyl-but-2-enoxy]carbonylamino]ethylphosphonic acid Openeye Name: 2-[[(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methyl-but-2-enoxy]carbonylamino]ethylphosphonic acid CAS Name: 2-[[[(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methylbut-2-enoxy]-oxomethyl]amino]ethylphosphonic acid IUPAC Name: 2-[[(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enoxy]carbonylamino]ethylphosphonic acid Traditional Name: 2-[[(E)-4-(6-ethyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)-2-methyl-but-2-enoxy]carbonylamino]ethylphosphonic acid Formula: C19H26NO8P MolecularWeight: 427.385401

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=C(C)COC(=O)NCCP(=O)(O)O)O)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C(\C)/COC(=O)NCCP(=O)(O)O)O)C(=O)OC2)C

InChI

InChI=1S/C19H26NO8P/c1-4-13-12(3)15-10-27-18(22)16(15)17(21)14(13)6-5-11(2)9-28-19(23)20-7-8-29(24,25)26/h5,21H,4,6-10H2,1-3H3,(H,20,23)(H2,24,25,26)/b11-5+