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

Systemtic Name: [(Z)-7-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-5-methyl-1-phosphono-hept-5-enyl]phosphonic acid Openeye Name: [(Z)-7-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-5-methyl-1-phosphono-hept-5-enyl]phosphonic acid CAS Name: [(Z)-7-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-5-methyl-1-phosphonohept-5-enyl]phosphonic acid IUPAC Name: [(Z)-7-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-5-methyl-1-phosphonohept-5-enyl]phosphonic acid Traditional Name: [(Z)-7-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-5-methyl-1-phosphono-hept-5-enyl]phosphonic acid Formula: C18H26O10P2 MolecularWeight: 464.340562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(/C)\CCCC(P(=O)(O)O)P(=O)(O)O)OC

InChI

InChI=1S/C18H26O10P2/c1-10(5-4-6-14(29(21,22)23)30(24,25)26)7-8-12-16(19)15-13(9-28-18(15)20)11(2)17(12)27-3/h7,14,19H,4-6,8-9H2,1-3H3,(H2,21,22,23)(H2,24,25,26)/b10-7-