[2-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethoxy-oxidanyl-phosphoryl]methylphosphonic acid

Systemtic Name: [2-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethoxy-oxidanyl-phosphoryl]methylphosphonic acid Openeye Name: [hydroxy-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethoxy]phosphoryl]methylphosphonic acid CAS Name: [hydroxy-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethoxy]phosphoryl]methylphosphonic acid IUPAC Name: [hydroxy-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethoxy]phosphoryl]methylphosphonic acid Traditional Name: [hydroxy-[2-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)ethoxy]phosphoryl]methylphosphonic acid Formula: C13H18O10P2 MolecularWeight: 396.223542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CCOP(=O)(CP(=O)(O)O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)CCOP(=O)(CP(=O)(O)O)O)OC

InChI

InChI=1S/C13H18O10P2/c1-7-9-5-22-13(15)10(9)11(14)8(12(7)21-2)3-4-23-25(19,20)6-24(16,17)18/h14H,3-6H2,1-2H3,(H,19,20)(H2,16,17,18)