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

Systemtic Name: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one Openeye Name: 3,3-bis(4-hydroxyphenyl)isobenzofuran-1-one CAS Name: 3,3-bis(4-hydroxyphenyl)-1-isobenzofuranone IUPAC Name: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one Traditional Name: phenolphthalein Formula: C40H28O8 MolecularWeight: 636.64552

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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.C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O.C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

InChI

InChI=1S/2C20H14O4/c2*21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h2*1-12,21-22H