3-[3-(3-bromanyl-5-nitro-phenyl)-5-nitro-phenyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one

Systemtic Name: 3-[3-(3-bromanyl-5-nitro-phenyl)-5-nitro-phenyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one Openeye Name: 3-[3-(3-bromo-5-nitro-phenyl)-5-nitro-phenyl]-5,5-dimethyl-2-morpholino-4,6-dihydrobenzothiophen-7-one CAS Name: 3-[3-(3-bromo-5-nitrophenyl)-5-nitrophenyl]-5,5-dimethyl-2-(4-morpholinyl)-4,6-dihydro-1-benzothiophen-7-one IUPAC Name: 3-[3-(3-bromo-5-nitrophenyl)-5-nitrophenyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one Traditional Name: 3-[3-(3-bromo-5-nitro-phenyl)-5-nitro-phenyl]-5,5-dimethyl-2-morpholino-4,6-dihydrobenzothiophen-7-one Formula: C26H24BrN3O6S MolecularWeight: 586.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=C2C3=CC(=CC(=C3)C4=CC(=CC(=C4)Br)[N+](=O)[O-])[N+](=O)[O-])N5CCOCC5)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=C2C3=CC(=CC(=C3)C4=CC(=CC(=C4)Br)[N+](=O)[O-])[N+](=O)[O-])N5CCOCC5)C

InChI

InChI=1S/C26H24BrN3O6S/c1-26(2)13-21-23(25(28-3-5-36-6-4-28)37-24(21)22(31)14-26)17-7-15(9-19(11-17)29(32)33)16-8-18(27)12-20(10-16)30(34)35/h7-12H,3-6,13-14H2,1-2H3