tetrasodium [[4-[1-(4-hydroxyphenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenoxy]-oxidanidyl-phosphoryl] phosphate

Systemtic Name: tetrasodium [[4-[1-(4-hydroxyphenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenoxy]-oxidanidyl-phosphoryl] phosphate Openeye Name: tetrasodium [[4-[1-(4-hydroxyphenyl)-3-oxo-isobenzofuran-1-yl]phenoxy]-oxido-phosphoryl] phosphate CAS Name: tetrasodium [[4-[1-(4-hydroxyphenyl)-3-oxo-1-isobenzofuranyl]phenoxy]-oxidophosphoryl] phosphate IUPAC Name: tetrasodium [[4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenoxy]-oxidophosphoryl] phosphate Traditional Name: tetrasodium [[4-[1-(4-hydroxyphenyl)-3-keto-phthalan-1-yl]phenoxy]-oxido-phosphoryl] phosphate Formula: C80H52Na4O40P8-8 MolecularWeight: 1992.994048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OP(=O)([O-])OP(=O)([O-])[O-].C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OP(=O)([O-])OP(=O)([O-])[O-].C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OP(=O)([O-])OP(=O)([O-])[O-].C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OP(=O)([O-])OP(=O)([O-])[O-].C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OP(=O)([O-])OP(=O)([O-])[O-].C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OP(=O)([O-])OP(=O)([O-])[O-].C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/4C20H16O10P2.4Na/c4*21-15-9-5-13(6-10-15)20(18-4-2-1-3-17(18)19(22)28-20)14-7-11-16(12-8-14)29-32(26,27)30-31(23,24)25;;;;/h4*1-12,21H,(H,26,27)(H2,23,24,25);;;;/q;;;;4*+1/p-12