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

Systemtic Name: [(Z)-5-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-3-methyl-1-phosphono-pent-3-enyl]phosphonic acid Openeye Name: [(Z)-5-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-3-methyl-1-phosphono-pent-3-enyl]phosphonic acid CAS Name: [(Z)-5-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-3-methyl-1-phosphonopent-3-enyl]phosphonic acid IUPAC Name: [(Z)-5-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-3-methyl-1-phosphonopent-3-enyl]phosphonic acid Traditional Name: [(Z)-5-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-3-methyl-1-phosphono-pent-3-enyl]phosphonic acid Formula: C16H22O10P2 MolecularWeight: 436.287402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O10P2/c1-8(6-12(27(19,20)21)28(22,23)24)4-5-10-14(17)13-11(7-26-16(13)18)9(2)15(10)25-3/h4,12,17H,5-7H2,1-3H3,(H2,19,20,21)(H2,22,23,24)/b8-4-