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

Systemtic Name: [(E)-1-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-7-methyl-1-phosphono-non-7-enyl]phosphonic acid Openeye Name: [(E)-1-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-7-methyl-1-phosphono-non-7-enyl]phosphonic acid CAS Name: [(E)-1-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-7-methyl-1-phosphononon-7-enyl]phosphonic acid IUPAC Name: [(E)-1-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-7-methyl-1-phosphononon-7-enyl]phosphonic acid Traditional Name: [(E)-1-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-7-methyl-1-phosphono-non-7-enyl]phosphonic acid Formula: C20H30O10P2 MolecularWeight: 492.393722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30O10P2/c1-5-12(2)9-7-6-8-10-20(31(23,24)25,32(26,27)28)16-17(21)15-14(11-30-19(15)22)13(3)18(16)29-4/h5,21H,6-11H2,1-4H3,(H2,23,24,25)(H2,26,27,28)/b12-5+