2-[[(E)-4-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-2-methyl-but-2-enyl]-sulfamoyl-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]-sulfamoyl-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]-sulfamoyl-amino]ethylphosphonic acid CAS Name: 2-[[(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methylbut-2-enyl]-sulfamoylamino]ethylphosphonic acid IUPAC Name: 2-[[(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]-sulfamoylamino]ethylphosphonic acid Traditional Name: 2-[[(E)-4-(6-ethyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)-2-methyl-but-2-enyl]-sulfamoyl-amino]ethylphosphonic acid Formula: C18H27N2O8PS MolecularWeight: 462.454341

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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)N)O)C(=O)OC2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27N2O8PS/c1-4-13-12(3)15-10-28-18(22)16(15)17(21)14(13)6-5-11(2)9-20(30(19,26)27)7-8-29(23,24)25/h5,21H,4,6-10H2,1-3H3,(H2,19,26,27)(H2,23,24,25)/b11-5+