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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2COC(=O)C2=CC(=C1OC)C(C=C(C)CCCC(P(=O)(O)O)P(=O)(O)O)O

Isomeric SMILES

CC1=C2COC(=O)C2=CC(=C1OC)C(/C=C(/C)\CCCC(P(=O)(O)O)P(=O)(O)O)O

InChI

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