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

Systemtic Name: [(Z)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-1-phosphono-hex-4-enyl]phosphonic acid Openeye Name: [(Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-1-phosphono-hex-4-enyl]phosphonic acid CAS Name: [(Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-1-phosphonohex-4-enyl]phosphonic acid IUPAC Name: [(Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methyl-1-phosphonohex-4-enyl]phosphonic acid Traditional Name: [(Z)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-1-phosphono-hex-4-enyl]phosphonic acid Formula: C17H24O10P2 MolecularWeight: 450.313982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O10P2/c1-9(5-7-13(28(20,21)22)29(23,24)25)4-6-11-15(18)14-12(8-27-17(14)19)10(2)16(11)26-3/h4,13,18H,5-8H2,1-3H3,(H2,20,21,22)(H2,23,24,25)/b9-4-