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

Systemtic Name: 2-[methanoyl-[(E)-4-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-2-methyl-but-2-enyl]amino]ethylphosphonic acid Openeye Name: 2-[formyl-[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methyl-but-2-enyl]amino]ethylphosphonic acid CAS Name: 2-[formyl-[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methylbut-2-enyl]amino]ethylphosphonic acid IUPAC Name: 2-[formyl-[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]ethylphosphonic acid Traditional Name: 2-[formyl-[(E)-4-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-2-methyl-but-2-enyl]amino]ethylphosphonic acid Formula: C18H24NO8P MolecularWeight: 413.358821

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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)C=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H24NO8P/c1-11(8-19(10-20)6-7-28(23,24)25)4-5-13-16(21)15-14(9-27-18(15)22)12(2)17(13)26-3/h4,10,21H,5-9H2,1-3H3,(H2,23,24,25)/b11-4+