[4-[(1R)-3-oxidanylidene-1-(4-phosphonatooxycyclohexa-2,5-dien-1-yl)-2-benzofuran-1-yl]phenyl] phosphate

Systemtic Name: [4-[(1R)-3-oxidanylidene-1-(4-phosphonatooxycyclohexa-2,5-dien-1-yl)-2-benzofuran-1-yl]phenyl] phosphate Openeye Name: [4-[(1R)-3-oxo-1-(4-phosphonatooxycyclohexa-2,5-dien-1-yl)isobenzofuran-1-yl]phenyl] phosphate CAS Name: [4-[(1R)-3-oxo-1-(4-phosphonatooxy-1-cyclohexa-2,5-dienyl)-1-isobenzofuranyl]phenyl] phosphate IUPAC Name: [4-[(1R)-3-oxo-1-(4-phosphonatooxycyclohexa-2,5-dien-1-yl)-2-benzofuran-1-yl]phenyl] phosphate Traditional Name: [4-[(1R)-3-keto-1-(4-phosphatocyclohexa-2,5-dien-1-yl)phthalan-1-yl]phenyl] phosphate Formula: C20H14O10P2-4 MolecularWeight: 476.266682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC2(C3C=CC(C=C3)OP(=O)([O-])[O-])C4=CC=C(C=C4)OP(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)O[C@]2(C3C=CC(C=C3)OP(=O)([O-])[O-])C4=CC=C(C=C4)OP(=O)([O-])[O-]

InChI

InChI=1S/C20H18O10P2/c21-19-17-3-1-2-4-18(17)20(28-19,13-5-9-15(10-6-13)29-31(22,23)24)14-7-11-16(12-8-14)30-32(25,26)27/h1-13,15H,(H2,22,23,24)(H2,25,26,27)/p-4/t13?,15?,20-/m1/s1