3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one diphosphate

Systemtic Name: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one diphosphate Openeye Name: 3,3-bis(4-hydroxyphenyl)isobenzofuran-1-one diphosphate CAS Name: 3,3-bis(4-hydroxyphenyl)-1-isobenzofuranone diphosphate IUPAC Name: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one diphosphate Traditional Name: phenolphthalein diphosphate Formula: C20H14O12P2-6 MolecularWeight: 508.265482

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)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C20H14O4.2H3O4P/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20;2*1-5(2,3)4/h1-12,21-22H;2*(H3,1,2,3,4)/p-6