[(E)-9-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-7-methyl-1-phosphono-non-8-enyl]phosphonic acid

Systemtic Name: [(E)-9-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-7-methyl-1-phosphono-non-8-enyl]phosphonic acid Openeye Name: [(E)-9-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-7-methyl-1-phosphono-non-8-enyl]phosphonic acid CAS Name: [(E)-9-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-7-methyl-1-phosphononon-8-enyl]phosphonic acid IUPAC Name: [(E)-9-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-7-methyl-1-phosphononon-8-enyl]phosphonic acid Traditional Name: [(E)-9-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-7-methyl-1-phosphono-non-8-enyl]phosphonic acid Formula: C20H30O10P2 MolecularWeight: 492.393722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)C=CC(C)CCCCCC(P(=O)(O)O)P(=O)(O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)/C=C/C(C)CCCCCC(P(=O)(O)O)P(=O)(O)O)OC

InChI

InChI=1S/C20H30O10P2/c1-12(7-5-4-6-8-16(31(23,24)25)32(26,27)28)9-10-14-18(21)17-15(11-30-20(17)22)13(2)19(14)29-3/h9-10,12,16,21H,4-8,11H2,1-3H3,(H2,23,24,25)(H2,26,27,28)/b10-9+