3,3-bis(4-oxidanyl-3,5-diphenyl-phenyl)-2-benzofuran-1-one

Systemtic Name: 3,3-bis(4-oxidanyl-3,5-diphenyl-phenyl)-2-benzofuran-1-one Openeye Name: 3,3-bis(4-hydroxy-3,5-diphenyl-phenyl)isobenzofuran-1-one CAS Name: 3,3-bis(4-hydroxy-3,5-diphenylphenyl)-1-isobenzofuranone IUPAC Name: 3,3-bis(4-hydroxy-3,5-diphenylphenyl)-2-benzofuran-1-one Traditional Name: 3,3-bis(4-hydroxy-3,5-diphenyl-phenyl)phthalide Formula: C44H30O4 MolecularWeight: 622.7066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC(=C2O)C3=CC=CC=C3)C4(C5=CC=CC=C5C(=O)O4)C6=CC(=C(C(=C6)C7=CC=CC=C7)O)C8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC(=C2O)C3=CC=CC=C3)C4(C5=CC=CC=C5C(=O)O4)C6=CC(=C(C(=C6)C7=CC=CC=C7)O)C8=CC=CC=C8

InChI

InChI=1S/C44H30O4/c45-41-36(29-15-5-1-6-16-29)25-33(26-37(41)30-17-7-2-8-18-30)44(40-24-14-13-23-35(40)43(47)48-44)34-27-38(31-19-9-3-10-20-31)42(46)39(28-34)32-21-11-4-12-22-32/h1-28,45-46H