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MOLECULAR FORMULA: C38H29N3O4
MOLECULAR WEIGHT: 591.65456
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@H](C2=O)C45[C@H]6[C@@H](C3C=C4C7=CC=CC=C7N5C8=CC=CC=C8)C(=O)N(C6=O)CC9=CC=CC=C9
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MOLECULAR FORMULA: C36H23F2N3O4
MOLECULAR WEIGHT: 599.582326
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5[C@H]6[C@@H](C42[C@H]7[C@@H]5C(=O)N(C7=O)C8=CC=C(C=C8)F)C(=O)N(C6=O)C9=CC=C(C=C9)F
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MOLECULAR FORMULA: C36H23Cl2N3O4
MOLECULAR WEIGHT: 632.49152
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5[C@H]6[C@@H](C42[C@H]7[C@@H]5C(=O)N(C7=O)C8=CC=C(C=C8)Cl)C(=O)N(C6=O)C9=CC=C(C=C9)Cl
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MOLECULAR FORMULA: C36H23Br2N3O4
MOLECULAR WEIGHT: 721.39352
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5[C@H]6[C@@H](C42[C@H]7[C@@H]5C(=O)N(C7=O)C8=CC=C(C=C8)Br)C(=O)N(C6=O)C9=CC=C(C=C9)Br
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MOLECULAR FORMULA: C38H29N3O6
MOLECULAR WEIGHT: 623.65336
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)C45[C@H]6[C@@H](C3C=C4C7=CC=CC=C7N5C8=CC=CC=C8)C(=O)N(C6=O)C9=CC=C(C=C9)OC
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MOLECULAR FORMULA: C32H23N3O5
MOLECULAR WEIGHT: 529.54212
SMILES: CC(=O)N1C2=CC=CC=C2C3=CC4[C@H]5[C@@H](C31[C@H]6[C@@H]4C(=O)N(C6=O)C7=CC=CC=C7)C(=O)N(C5=O)C8=CC=CC=C8
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MOLECULAR FORMULA: C22H21N3O4
MOLECULAR WEIGHT: 391.41984
SMILES: CCN1C2=CC=CC=C2C3=CC4[C@H]5[C@@H](C31[C@H]6[C@@H]4C(=O)N(C6=O)C)C(=O)N(C5=O)C
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MOLECULAR FORMULA: C36H23N5O8
MOLECULAR WEIGHT: 653.59652
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5[C@H]6[C@@H](C42[C@H]7[C@@H]5C(=O)N(C7=O)C8=CC=C(C=C8)[N+](=O)[O-])C(=O)N(C6=O)C9=CC=C(C=C9)[N+](=O)[O-]
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MOLECULAR FORMULA: C38H29N3O6
MOLECULAR WEIGHT: 623.65336
SMILES: COC1=CC=CC(=C1)N2C(=O)[C@@H]3[C@H](C2=O)C45[C@H]6[C@@H](C3C=C4C7=CC=CC=C7N5C8=CC=CC=C8)C(=O)N(C6=O)C9=CC(=CC=C9)OC
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MOLECULAR FORMULA: C36H23Br2N3O4
MOLECULAR WEIGHT: 721.39352
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5[C@H]6[C@@H](C42[C@H]7[C@@H]5C(=O)N(C7=O)C8=CC=CC=C8Br)C(=O)N(C6=O)C9=CC=CC=C9Br
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MOLECULAR FORMULA: C26H21N3O4
MOLECULAR WEIGHT: 439.46264
SMILES: CN1C(=O)[C@@H]2[C@H](C1=O)C34[C@H]5[C@@H](C2C=C3C6=CC=CC=C6N4C7=CC=CC=C7)C(=O)N(C5=O)C
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MOLECULAR FORMULA: C24H17N3O4
MOLECULAR WEIGHT: 411.40948
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5[C@H]6[C@@H](C42[C@H]7[C@@H]5C(=O)NC7=O)C(=O)NC6=O
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MOLECULAR FORMULA: C38H28N4O6
MOLECULAR WEIGHT: 636.65212
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@H]3[C@@H](C2=O)C45[C@@H]6[C@H](C3(C=C4C7=CC=CC=C7N5C8=CC=CC=C8)[N+](=O)[O-])C(=O)N(C6=O)CC9=CC=CC=C9
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MOLECULAR FORMULA: C36H22F2N4O6
MOLECULAR WEIGHT: 644.579886
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5([C@@H]6[C@H](C42[C@@H]7[C@H]5C(=O)N(C7=O)C8=CC=C(C=C8)F)C(=O)N(C6=O)C9=CC=C(C=C9)F)[N+](=O)[O-]
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MOLECULAR FORMULA: C36H22Cl2N4O6
MOLECULAR WEIGHT: 677.48908
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5([C@@H]6[C@H](C42[C@@H]7[C@H]5C(=O)N(C7=O)C8=CC=C(C=C8)Cl)C(=O)N(C6=O)C9=CC=C(C=C9)Cl)[N+](=O)[O-]
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MOLECULAR FORMULA: C36H22Br2N4O6
MOLECULAR WEIGHT: 766.39108
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5([C@@H]6[C@H](C42[C@@H]7[C@H]5C(=O)N(C7=O)C8=CC=C(C=C8)Br)C(=O)N(C6=O)C9=CC=C(C=C9)Br)[N+](=O)[O-]
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MOLECULAR FORMULA: C37H24N4O7
MOLECULAR WEIGHT: 636.60906
SMILES: C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C4=CC5([C@@H]6[C@H](C42[C@@H]7[C@H]5C(=O)N(C7=O)C8=CC=CC=C8)C(=O)N(C6=O)C9=CC=CC=C9)[N+](=O)[O-]
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MOLECULAR FORMULA: C32H22N4O7
MOLECULAR WEIGHT: 574.53968
SMILES: CC(=O)N1C2=CC=CC=C2C3=CC4([C@@H]5[C@H](C31[C@@H]6[C@H]4C(=O)N(C6=O)C7=CC=CC=C7)C(=O)N(C5=O)C8=CC=CC=C8)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(5-hydroxy-3,3-dimethyl-2-morpholino-2H-benzofuran-4-yl)ethanone
CAS Name: 1-[5-hydroxy-3,3-dimethyl-2-(4-morpholinyl)-2H-benzofuran-4-yl]ethanone
IUPAC NAME: 1-(5-hydroxy-3,3-dimethyl-2-morpholin-4-yl-2H-1-benzofuran-4-yl)ethanone
SYSTEMATIC NAME: 1-(3,3-dimethyl-2-morpholin-4-yl-5-oxidanyl-2H-1-benzofuran-4-yl)ethanone
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: CC(=O)C1=C(C=CC2=C1C(C(O2)N3CCOCC3)(C)C)O
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Product OPENEYE NAME: 4-(benzenesulfinyl)-3-methyl-6,6-diphenyl-dioxan-3-ol
CAS Name: 4-(benzenesulfinyl)-3-methyl-6,6-diphenyl-3-dioxanol
IUPAC NAME: 4-(benzenesulfinyl)-3-methyl-6,6-diphenyldioxan-3-ol
SYSTEMATIC NAME: 3-methyl-6,6-diphenyl-4-(phenylsulfinyl)-1,2-dioxan-3-ol
MOLECULAR FORMULA: C23H22O4S
MOLECULAR WEIGHT: 394.48338
SMILES: CC1(C(CC(OO1)(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)C4=CC=CC=C4)O
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Product OPENEYE NAME: 4-(benzenesulfinyl)-6,6-bis(4-chlorophenyl)-3-methyl-dioxan-3-ol
CAS Name: 4-(benzenesulfinyl)-6,6-bis(4-chlorophenyl)-3-methyl-3-dioxanol
IUPAC NAME: 4-(benzenesulfinyl)-6,6-bis(4-chlorophenyl)-3-methyldioxan-3-ol
SYSTEMATIC NAME: 6,6-bis(4-chlorophenyl)-3-methyl-4-(phenylsulfinyl)-1,2-dioxan-3-ol
MOLECULAR FORMULA: C23H20Cl2O4S
MOLECULAR WEIGHT: 463.3735
SMILES: CC1(C(CC(OO1)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)S(=O)C4=CC=CC=C4)O
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Product OPENEYE NAME: 4-(benzenesulfinyl)-3-methyl-6,6-bis(p-tolyl)dioxan-3-ol
CAS Name: 4-(benzenesulfinyl)-3-methyl-6,6-bis(4-methylphenyl)-3-dioxanol
IUPAC NAME: 4-(benzenesulfinyl)-3-methyl-6,6-bis(4-methylphenyl)dioxan-3-ol
SYSTEMATIC NAME: 3-methyl-6,6-bis(4-methylphenyl)-4-(phenylsulfinyl)-1,2-dioxan-3-ol
MOLECULAR FORMULA: C25H26O4S
MOLECULAR WEIGHT: 422.53654
SMILES: CC1=CC=C(C=C1)C2(CC(C(OO2)(C)O)S(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C
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