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

Systemtic Name: tetrasodium [4-[3-oxidanylidene-1-(4-phosphonatooxycyclohexa-2,5-dien-1-yl)-2-benzofuran-1-yl]phenyl] phosphate Openeye Name: tetrasodium [4-[3-oxo-1-(4-phosphonatooxycyclohexa-2,5-dien-1-yl)isobenzofuran-1-yl]phenyl] phosphate CAS Name: tetrasodium [4-[3-oxo-1-(4-phosphonatooxy-1-cyclohexa-2,5-dienyl)-1-isobenzofuranyl]phenyl] phosphate IUPAC Name: tetrasodium [4-[3-oxo-1-(4-phosphonatooxycyclohexa-2,5-dien-1-yl)-2-benzofuran-1-yl]phenyl] phosphate Traditional Name: tetrasodium [4-[3-keto-1-(4-phosphatocyclohexa-2,5-dien-1-yl)phthalan-1-yl]phenyl] phosphate Formula: C20H14Na4O10P2 MolecularWeight: 568.225762

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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-].[Na+].[Na+].[Na+].[Na+]

Isomeric 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-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C20H18O10P2.4Na/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);;;;/q;4*+1/p-4