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

Systemtic Name: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one disulfate Openeye Name: 3,3-bis(4-hydroxyphenyl)isobenzofuran-1-one disulfate CAS Name: 3,3-bis(4-hydroxyphenyl)-1-isobenzofuranone disulfate IUPAC Name: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one disulfate Traditional Name: phenolphthalein disulfate Formula: C20H14O12S2-4 MolecularWeight: 510.44796

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

InChI

InChI=1S/C20H14O4.2H2O4S/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*(H2,1,2,3,4)/p-4