7-[5,5-bis(oxidanylidene)dibenzothiophen-2-yl]-4-phenyl-2,4a,8,8a-tetrahydrophthalazine-1,5-dione

Systemtic Name: 7-[5,5-bis(oxidanylidene)dibenzothiophen-2-yl]-4-phenyl-2,4a,8,8a-tetrahydrophthalazine-1,5-dione Openeye Name: 7-(5,5-dioxodibenzothiophen-2-yl)-4-phenyl-2,4a,8,8a-tetrahydrophthalazine-1,5-dione CAS Name: 7-(5,5-dioxo-2-dibenzothiophenyl)-4-phenyl-2,4a,8,8a-tetrahydrophthalazine-1,5-dione IUPAC Name: 7-(5,5-dioxodibenzothiophen-2-yl)-4-phenyl-2,4a,8,8a-tetrahydrophthalazine-1,5-dione Traditional Name: 7-(5,5-diketodibenzothiophen-2-yl)-4-phenyl-2,4a,8,8a-tetrahydrophthalazine-1,5-quinone Formula: C26H18N2O4S MolecularWeight: 454.49712

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)C=C1C3=CC4=C(C=C3)S(=O)(=O)C5=CC=CC=C54)C(=NNC2=O)C6=CC=CC=C6

Isomeric SMILES

C1C2C(C(=O)C=C1C3=CC4=C(C=C3)S(=O)(=O)C5=CC=CC=C54)C(=NNC2=O)C6=CC=CC=C6

InChI

InChI=1S/C26H18N2O4S/c29-21-14-17(13-20-24(21)25(27-28-26(20)30)15-6-2-1-3-7-15)16-10-11-23-19(12-16)18-8-4-5-9-22(18)33(23,31)32/h1-12,14,20,24H,13H2,(H,28,30)