Product OPENEYE NAME: 2-[3-amino-1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethyl)propyl]isoindoline-1,3-dione
CAS Name: 2-[4-amino-1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)butan-2-yl]isoindole-1,3-dione
IUPAC NAME: 2-[4-amino-1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)butan-2-yl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[4-azanyl-1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)butan-2-yl]isoindole-1,3-dione
MOLECULAR FORMULA: C19H19N3O4
MOLECULAR WEIGHT: 353.37186
SMILES: C1C(OC2=C(O1)C=CC=N2)CC(CCN)N3C(=O)C4=CC=CC=C4C3=O
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Product OPENEYE NAME: 5-amino-1,4-dihydroxy-2,2-bis(hydroxymethyl)pentane-3-sulfonic acid
CAS Name: 5-amino-1,4-dihydroxy-2,2-bis(hydroxymethyl)-3-pentanesulfonic acid
IUPAC NAME: 5-amino-1,4-dihydroxy-2,2-bis(hydroxymethyl)pentane-3-sulfonic acid
SYSTEMATIC NAME: 5-azanyl-2,2-bis(hydroxymethyl)-1,4-bis(oxidanyl)pentane-3-sulfonic acid
MOLECULAR FORMULA: C7H17NO7S
MOLECULAR WEIGHT: 259.27738
SMILES: C(C(C(C(CO)(CO)CO)S(=O)(=O)O)O)N
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Product OPENEYE NAME: ethyl(o-tolyl)sulfamic acid
CAS Name: ethyl-(2-methylphenyl)sulfamic acid
IUPAC NAME: ethyl-(2-methylphenyl)sulfamic acid
SYSTEMATIC NAME: ethyl-(2-methylphenyl)sulfamic acid
MOLECULAR FORMULA: C9H13NO3S
MOLECULAR WEIGHT: 215.26942
SMILES: CCN(C1=CC=CC=C1C)S(=O)(=O)O
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Product OPENEYE NAME: 2-chloro-3-[5-(2,6-difluorophenyl)-2-methyl-1,2,4-triazol-3-yl]pyridine
CAS Name: 2-chloro-3-[5-(2,6-difluorophenyl)-2-methyl-1,2,4-triazol-3-yl]pyridine
IUPAC NAME: 2-chloro-3-[5-(2,6-difluorophenyl)-2-methyl-1,2,4-triazol-3-yl]pyridine
SYSTEMATIC NAME: 3-[5-[2,6-bis(fluoranyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-2-chloranyl-pyridine
MOLECULAR FORMULA: C14H9ClF2N4
MOLECULAR WEIGHT: 306.697866
SMILES: CN1C(=NC(=N1)C2=C(C=CC=C2F)F)C3=C(N=CC=C3)Cl
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Product OPENEYE NAME: 3-phenyl-2-(3-pyridyl)-2H-thiazole
CAS Name: 3-phenyl-2-(3-pyridinyl)-2H-thiazole
IUPAC NAME: 3-phenyl-2-pyridin-3-yl-2H-1,3-thiazole
SYSTEMATIC NAME: 3-phenyl-2-pyridin-3-yl-2H-1,3-thiazole
MOLECULAR FORMULA: C14H12N2S
MOLECULAR WEIGHT: 240.32348
SMILES: C1=CC=C(C=C1)N2C=CSC2C3=CN=CC=C3
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Product OPENEYE NAME: disodium 4-(2-dodecyltetradecanoyloxy)-4-oxo-3-sulfonato-butanoate
CAS Name: disodium 4-(2-dodecyl-1-oxotetradecoxy)-4-oxo-3-sulfonatobutanoate
IUPAC NAME: disodium 4-(2-dodecyltetradecanoyloxy)-4-oxo-3-sulfonatobutanoate
SYSTEMATIC NAME: disodium 4-(2-dodecyltetradecanoyloxy)-4-oxidanylidene-3-sulfonato-butanoate
MOLECULAR FORMULA: C30H54Na2O8S
MOLECULAR WEIGHT: 620.7895
SMILES: CCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: 4-(2-dodecyltetradecanoyloxy)-4-oxo-3-sulfo-butanoic acid
CAS Name: 4-(2-dodecyl-1-oxotetradecoxy)-4-oxo-3-sulfobutanoic acid
IUPAC NAME: 4-(2-dodecyltetradecanoyloxy)-4-oxo-3-sulfobutanoic acid
SYSTEMATIC NAME: 4-(2-dodecyltetradecanoyloxy)-4-oxidanylidene-3-sulfo-butanoic acid
MOLECULAR FORMULA: C30H56O8S
MOLECULAR WEIGHT: 576.82584
SMILES: CCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)OC(=O)C(CC(=O)O)S(=O)(=O)O
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Product OPENEYE NAME: 1,6-diamino-2H-naphthalen-1-ol
CAS Name: 1,6-diamino-2H-naphthalen-1-ol
IUPAC NAME: 1,6-diamino-2H-naphthalen-1-ol
SYSTEMATIC NAME: 1,6-bis(azanyl)-2H-naphthalen-1-ol
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: C1C=CC2=C(C1(N)O)C=CC(=C2)N
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Product OPENEYE NAME: 1,4-diamino-2H-naphthalen-1-ol
CAS Name: 1,4-diamino-2H-naphthalen-1-ol
IUPAC NAME: 1,4-diamino-2H-naphthalen-1-ol
SYSTEMATIC NAME: 1,4-bis(azanyl)-2H-naphthalen-1-ol
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: C1C=C(C2=CC=CC=C2C1(N)O)N
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Product OPENEYE NAME: 1,2-diamino-2H-naphthalen-1-ol
CAS Name: 1,2-diamino-2H-naphthalen-1-ol
IUPAC NAME: 1,2-diamino-2H-naphthalen-1-ol
SYSTEMATIC NAME: 1,2-bis(azanyl)-2H-naphthalen-1-ol
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: C1=CC=C2C(=C1)C=CC(C2(N)O)N
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Product OPENEYE NAME: 2-hydroxypropyl (E)-3-(oxiran-2-ylmethoxy)prop-2-enoate
CAS Name: (E)-3-(2-oxiranylmethoxy)-2-propenoic acid 2-hydroxypropyl ester
IUPAC NAME: 2-hydroxypropyl (E)-3-(oxiran-2-ylmethoxy)prop-2-enoate
SYSTEMATIC NAME: 2-oxidanylpropyl (E)-3-(oxiran-2-ylmethoxy)prop-2-enoate
MOLECULAR FORMULA: C9H14O5
MOLECULAR WEIGHT: 202.20446
SMILES: CC(COC(=O)/C=C/OCC1CO1)O
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Product OPENEYE NAME: but-3-en-1-ol; (E)-2-methylbut-2-en-1-ol
CAS Name: 3-buten-1-ol; (E)-2-methyl-2-buten-1-ol
IUPAC NAME: but-3-en-1-ol; (E)-2-methylbut-2-en-1-ol
SYSTEMATIC NAME: but-3-en-1-ol; (E)-2-methylbut-2-en-1-ol
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: C/C=C(\C)/CO.C=CCCO
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Product OPENEYE NAME: 4,5,6,7-tetrachloro-3-[(Z)-2-(4-methoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)vinyl]-3H-isobenzofuran-1-one
CAS Name: 4,5,6,7-tetrachloro-3-[(Z)-2-(4-methoxyphenyl)-2-[4-(1-pyrrolidinyl)phenyl]ethenyl]-3H-isobenzofuran-1-one
IUPAC NAME: 4,5,6,7-tetrachloro-3-[(Z)-2-(4-methoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 4,5,6,7-tetrakis(chloranyl)-3-[(Z)-2-(4-methoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C27H21Cl4NO3
MOLECULAR WEIGHT: 549.27254
SMILES: COC1=CC=C(C=C1)/C(=C\C2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O2)/C4=CC=C(C=C4)N5CCCC5
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Product OPENEYE NAME: 4,5,6,7-tetrachloro-3-[(E)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)vinyl]-3H-isobenzofuran-1-one
CAS Name: 4,5,6,7-tetrachloro-3-[(E)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)ethenyl]-3H-isobenzofuran-1-one
IUPAC NAME: 4,5,6,7-tetrachloro-3-[(E)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)ethenyl]-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 4,5,6,7-tetrakis(chloranyl)-3-[(E)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)ethenyl]-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C25H19Cl4NO3
MOLECULAR WEIGHT: 523.23526
SMILES: CN(C)C1=CC=C(C=C1)/C(=C\C2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O2)/C4=CC=C(C=C4)OC
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Product OPENEYE NAME: 4,5,6,7-tetrabromo-3-[(E)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)vinyl]-3H-isobenzofuran-1-one
CAS Name: 4,5,6,7-tetrabromo-3-[(E)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)ethenyl]-3H-isobenzofuran-1-one
IUPAC NAME: 4,5,6,7-tetrabromo-3-[(E)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)ethenyl]-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 4,5,6,7-tetrakis(bromanyl)-3-[(E)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)ethenyl]-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C25H19Br4NO3
MOLECULAR WEIGHT: 701.03926
SMILES: CN(C)C1=CC=C(C=C1)/C(=C\C2C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)/C4=CC=C(C=C4)OC
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Product OPENEYE NAME: diethyl 2-[2-[2-[2-(2,2-dimethylpropanoyloxymethoxy)-2-oxo-ethyl]-2-hydroxy-4-oxo-azetidin-1-yl]propanoylsulfanylmethyl]propanedioate
CAS Name: 2-[[[2-[2-[2-[(2,2-dimethyl-1-oxopropoxy)methoxy]-2-oxoethyl]-2-hydroxy-4-oxo-1-azetidinyl]-1-oxopropyl]thio]methyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[2-[2-[2-(2,2-dimethylpropanoyloxymethoxy)-2-oxoethyl]-2-hydroxy-4-oxoazetidin-1-yl]propanoylsulfanylmethyl]propanedioate
SYSTEMATIC NAME: diethyl 2-[2-[2-[2-(2,2-dimethylpropanoyloxymethoxy)-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-azetidin-1-yl]propanoylsulfanylmethyl]propanedioate
MOLECULAR FORMULA: C22H33NO11S
MOLECULAR WEIGHT: 519.56252
SMILES: CCOC(=O)C(CSC(=O)C(C)N1C(=O)CC1(CC(=O)OCOC(=O)C(C)(C)C)O)C(=O)OCC
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Product OPENEYE NAME: diethyl 2-[2-[2-(2-ethoxy-1-hydroxy-2-oxo-ethyl)-4-oxo-azetidin-2-yl]propanoylsulfanylmethyl]propanedioate
CAS Name: 2-[[[2-[2-(2-ethoxy-1-hydroxy-2-oxoethyl)-4-oxo-2-azetidinyl]-1-oxopropyl]thio]methyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[2-[2-(2-ethoxy-1-hydroxy-2-oxoethyl)-4-oxoazetidin-2-yl]propanoylsulfanylmethyl]propanedioate
SYSTEMATIC NAME: diethyl 2-[2-[2-(2-ethoxy-1-oxidanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-azetidin-2-yl]propanoylsulfanylmethyl]propanedioate
MOLECULAR FORMULA: C18H27NO9S
MOLECULAR WEIGHT: 433.47328
SMILES: CCOC(=O)C(CSC(=O)C(C)C1(CC(=O)N1)C(C(=O)OCC)O)C(=O)OCC
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Product OPENEYE NAME: diethyl 2-[3-[2-(2,2-dimethylpropanoyloxymethoxy)-3,5,6-trioxo-2-azabicyclo[2.2.0]hexan-4-yl]-2-thioxo-butyl]propanedioate
CAS Name: 2-[3-[2-[(2,2-dimethyl-1-oxopropoxy)methoxy]-3,5,6-trioxo-2-azabicyclo[2.2.0]hexan-4-yl]-2-sulfanylidenebutyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[3-[2-(2,2-dimethylpropanoyloxymethoxy)-3,5,6-trioxo-2-azabicyclo[2.2.0]hexan-4-yl]-2-sulfanylidenebutyl]propanedioate
SYSTEMATIC NAME: diethyl 2-[3-[2-(2,2-dimethylpropanoyloxymethoxy)-3,5,6-tris(oxidanylidene)-2-azabicyclo[2.2.0]hexan-4-yl]-2-sulfanylidene-butyl]propanedioate
MOLECULAR FORMULA: C22H29NO10S
MOLECULAR WEIGHT: 499.53136
SMILES: CCOC(=O)C(CC(=S)C(C)C12C(C(=O)C1=O)N(C2=O)OCOC(=O)C(C)(C)C)C(=O)OCC
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Product OPENEYE NAME: diethyl 2-[2-(2-oxoazetidin-1-yl)propanoylsulfanylmethyl]propanedioate
CAS Name: 2-[[[1-oxo-2-(2-oxo-1-azetidinyl)propyl]thio]methyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[2-(2-oxoazetidin-1-yl)propanoylsulfanylmethyl]propanedioate
SYSTEMATIC NAME: diethyl 2-[2-(2-oxidanylideneazetidin-1-yl)propanoylsulfanylmethyl]propanedioate
MOLECULAR FORMULA: C14H21NO6S
MOLECULAR WEIGHT: 331.38464
SMILES: CCOC(=O)C(CSC(=O)C(C)N1CCC1=O)C(=O)OCC
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Product OPENEYE NAME: diethyl 2-[3-[2-(2-allyloxy-1-hydroxy-2-oxo-ethyl)-4-oxo-azetidin-2-yl]propanoylsulfanylmethyl]propanedioate
CAS Name: 2-[[[3-[2-(1-hydroxy-2-oxo-2-prop-2-enoxyethyl)-4-oxo-2-azetidinyl]-1-oxopropyl]thio]methyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[3-[2-(1-hydroxy-2-oxo-2-prop-2-enoxyethyl)-4-oxoazetidin-2-yl]propanoylsulfanylmethyl]propanedioate
SYSTEMATIC NAME: diethyl 2-[3-[4-oxidanylidene-2-(1-oxidanyl-2-oxidanylidene-2-prop-2-enoxy-ethyl)azetidin-2-yl]propanoylsulfanylmethyl]propanedioate
MOLECULAR FORMULA: C19H27NO9S
MOLECULAR WEIGHT: 445.48398
SMILES: CCOC(=O)C(CSC(=O)CCC1(CC(=O)N1)C(C(=O)OCC=C)O)C(=O)OCC
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Product OPENEYE NAME: diethyl 2-[2-[2-(1-chloro-2-ethoxy-2-oxo-ethyl)-4-oxo-azetidin-2-yl]propanoylsulfanylmethyl]propanedioate
CAS Name: 2-[[[2-[2-(1-chloro-2-ethoxy-2-oxoethyl)-4-oxo-2-azetidinyl]-1-oxopropyl]thio]methyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[2-[2-(1-chloro-2-ethoxy-2-oxoethyl)-4-oxoazetidin-2-yl]propanoylsulfanylmethyl]propanedioate
SYSTEMATIC NAME: diethyl 2-[2-[2-(1-chloranyl-2-ethoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-azetidin-2-yl]propanoylsulfanylmethyl]propanedioate
MOLECULAR FORMULA: C18H26ClNO8S
MOLECULAR WEIGHT: 451.91894
SMILES: CCOC(=O)C(CSC(=O)C(C)C1(CC(=O)N1)C(C(=O)OCC)Cl)C(=O)OCC
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