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

Systemtic Name: [(E)-2-ethyl-4-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)but-2-enyl]phosphonic acid Openeye Name: [(E)-2-ethyl-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)but-2-enyl]phosphonic acid CAS Name: [(E)-2-ethyl-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)but-2-enyl]phosphonic acid IUPAC Name: [(E)-2-ethyl-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)but-2-enyl]phosphonic acid Traditional Name: [(E)-2-ethyl-4-(6-ethyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)but-2-enyl]phosphonic acid Formula: C17H23O6P MolecularWeight: 354.334681

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=C(CC)CP(=O)(O)O)O)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C(\CC)/CP(=O)(O)O)O)C(=O)OC2)C

InChI

InChI=1S/C17H23O6P/c1-4-11(9-24(20,21)22)6-7-13-12(5-2)10(3)14-8-23-17(19)15(14)16(13)18/h6,18H,4-5,7-9H2,1-3H3,(H2,20,21,22)/b11-6+