2-[[(E)-4-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-2-methyl-but-2-enyl]sulfamoylamino]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]sulfamoylamino]ethylphosphonic acid Openeye Name: 2-[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methyl-but-2-enyl]sulfamoylamino]ethylphosphonic acid CAS Name: 2-[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methylbut-2-enyl]sulfamoylamino]ethylphosphonic acid IUPAC Name: 2-[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]sulfamoylamino]ethylphosphonic acid Traditional Name: 2-[[(E)-4-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-2-methyl-but-2-enyl]sulfamoylamino]ethylphosphonic acid Formula: C17H25N2O9PS MolecularWeight: 464.427161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CNS(=O)(=O)NCCP(=O)(O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CNS(=O)(=O)NCCP(=O)(O)O)OC

InChI

InChI=1S/C17H25N2O9PS/c1-10(8-19-30(25,26)18-6-7-29(22,23)24)4-5-12-15(20)14-13(9-28-17(14)21)11(2)16(12)27-3/h4,18-20H,5-9H2,1-3H3,(H2,22,23,24)/b10-4+