4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1,3-dione

Systemtic Name: 4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1,3-dione Openeye Name: 4,5,6,7-tetraphenyl-3a,7a-dihydroisobenzofuran-1,3-dione CAS Name: 4,5,6,7-tetraphenyl-3a,7a-dihydroisobenzofuran-1,3-dione IUPAC Name: 4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1,3-dione Traditional Name: 4,5,6,7-tetraphenyl-3a,7a-dihydroisobenzofuran-1,3-quinone Formula: C32H22O3 MolecularWeight: 454.51528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C3C2C(=O)OC3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C3C2C(=O)OC3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H22O3/c33-31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30(29)32(34)35-31)24-19-11-4-12-20-24/h1-20,29-30H