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

Systemtic Name: [(E)-1-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-1-phosphono-hex-4-enyl]phosphonic acid Openeye Name: [(E)-1-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-1-phosphono-hex-4-enyl]phosphonic acid CAS Name: [(E)-1-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-1-phosphonohex-4-enyl]phosphonic acid IUPAC Name: [(E)-1-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methyl-1-phosphonohex-4-enyl]phosphonic acid Traditional Name: [(E)-1-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-1-phosphono-hex-4-enyl]phosphonic acid Formula: C17H24O10P2 MolecularWeight: 450.313982

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)CCC(C1=C(C2=C(COC2=O)C(=C1OC)C)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C/C=C(\C)/CCC(C1=C(C2=C(COC2=O)C(=C1OC)C)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C17H24O10P2/c1-5-9(2)6-7-17(28(20,21)22,29(23,24)25)13-14(18)12-11(8-27-16(12)19)10(3)15(13)26-4/h5,18H,6-8H2,1-4H3,(H2,20,21,22)(H2,23,24,25)/b9-5+