barium(2+); 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one; dichloride

Systemtic Name: barium(2+); 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one; dichloride Openeye Name: barium(2+); 3,3-bis(4-hydroxyphenyl)isobenzofuran-1-one; dichloride CAS Name: barium(2+); 3,3-bis(4-hydroxyphenyl)-1-isobenzofuranone; dichloride IUPAC Name: barium(2+); 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one; dichloride Traditional Name: barium(2+); phenolphthalein; dichloride Formula: C20H14BaCl2O4 MolecularWeight: 526.55576

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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.[Cl-].[Cl-].[Ba+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O.[Cl-].[Cl-].[Ba+2]

InChI

InChI=1S/C20H14O4.Ba.2ClH/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;;;/h1-12,21-22H;;2*1H/q;+2;;/p-2