Product OPENEYE NAME: tert-butyl 5-[[(2E)-2-hydroxyiminoacetyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-4-carboxylate
CAS Name: 5-[[(2E)-2-hydroxyimino-1-oxoethoxy]methyl]-2,2-dimethyl-1,3-benzodioxole-4-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 5-[[(2E)-2-hydroxyiminoacetyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-4-carboxylate
SYSTEMATIC NAME: tert-butyl 5-[[(2E)-2-hydroxyiminoethanoyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-4-carboxylate
MOLECULAR FORMULA: C17H21NO7
MOLECULAR WEIGHT: 351.35114
SMILES: CC1(OC2=C(O1)C(=C(C=C2)COC(=O)/C=N/O)C(=O)OC(C)(C)C)C
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Product OPENEYE NAME: tert-butyl 6-[[(2E)-2-hydroxyiminoacetyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-4-carboxylate
CAS Name: 6-[[(2E)-2-hydroxyimino-1-oxoethoxy]methyl]-2,2-dimethyl-1,3-benzodioxole-4-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 6-[[(2E)-2-hydroxyiminoacetyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-4-carboxylate
SYSTEMATIC NAME: tert-butyl 6-[[(2E)-2-hydroxyiminoethanoyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-4-carboxylate
MOLECULAR FORMULA: C17H21NO7
MOLECULAR WEIGHT: 351.35114
SMILES: CC1(OC2=C(O1)C(=CC(=C2)COC(=O)/C=N/O)C(=O)OC(C)(C)C)C
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Product OPENEYE NAME: tert-butyl 7-[[(2E)-2-hydroxyiminoacetyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxylate
CAS Name: 7-[[(2E)-2-hydroxyimino-1-oxoethoxy]methyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 7-[[(2E)-2-hydroxyiminoacetyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxylate
SYSTEMATIC NAME: tert-butyl 7-[[(2E)-2-hydroxyiminoethanoyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxylate
MOLECULAR FORMULA: C17H21NO7
MOLECULAR WEIGHT: 351.35114
SMILES: CC1(OC2=CC(=CC(=C2O1)COC(=O)/C=N/O)C(=O)OC(C)(C)C)C
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Product OPENEYE NAME: 2-methyl-5-phenyl-isoxazol-2-ium-3-sulfonate
CAS Name: 2-methyl-5-phenyl-3-isoxazol-2-iumsulfonate
IUPAC NAME: 2-methyl-5-phenyl-1,2-oxazol-2-ium-3-sulfonate
SYSTEMATIC NAME: 2-methyl-5-phenyl-1,2-oxazol-2-ium-3-sulfonate
MOLECULAR FORMULA: C10H9NO4S
MOLECULAR WEIGHT: 239.24776
SMILES: C[N+]1=C(C=C(O1)C2=CC=CC=C2)S(=O)(=O)[O-]
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Product OPENEYE NAME: 2-methyl-5-phenyl-isoxazol-2-ium-3-sulfonic acid
CAS Name: 2-methyl-5-phenyl-3-isoxazol-2-iumsulfonic acid
IUPAC NAME: 2-methyl-5-phenyl-1,2-oxazol-2-ium-3-sulfonic acid
SYSTEMATIC NAME: 2-methyl-5-phenyl-1,2-oxazol-2-ium-3-sulfonic acid
MOLECULAR FORMULA: C10H10NO4S+
MOLECULAR WEIGHT: 240.2557
SMILES: C[N+]1=C(C=C(O1)C2=CC=CC=C2)S(=O)(=O)O
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Product OPENEYE NAME: benzhydryl 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CAS Name: 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SYSTEMATIC NAME: (diphenylmethyl) 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
MOLECULAR FORMULA: C20H16N4O2
MOLECULAR WEIGHT: 344.36664
SMILES: CC1=NC2=NC(=NN2C=C1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: tert-butyl 4-[[(2E)-2-hydroxyiminoacetyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxylate
CAS Name: 4-[[(2E)-2-hydroxyimino-1-oxoethoxy]methyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[[(2E)-2-hydroxyiminoacetyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[[(2E)-2-hydroxyiminoethanoyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxylate
MOLECULAR FORMULA: C17H21NO7
MOLECULAR WEIGHT: 351.35114
SMILES: CC1(OC2=C(O1)C(=C(C=C2)C(=O)OC(C)(C)C)COC(=O)/C=N/O)C
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Product OPENEYE NAME: 2-indan-1-yl-9H-fluorene
CAS Name: 2-(2,3-dihydro-1H-inden-1-yl)-9H-fluorene
IUPAC NAME: 2-(2,3-dihydro-1H-inden-1-yl)-9H-fluorene
SYSTEMATIC NAME: 2-(2,3-dihydro-1H-inden-1-yl)-9H-fluorene
MOLECULAR FORMULA: C22H18
MOLECULAR WEIGHT: 282.37832
SMILES: C1CC2=CC=CC=C2C1C3=CC4=C(C=C3)C5=CC=CC=C5C4
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Product OPENEYE NAME: 1-methyl-2-benzothiophene
CAS Name: 1-methyl-2-benzothiophene
IUPAC NAME: 1-methyl-2-benzothiophene
SYSTEMATIC NAME: 1-methyl-2-benzothiophene
MOLECULAR FORMULA: C9H8S
MOLECULAR WEIGHT: 148.22482
SMILES: CC1=C2C=CC=CC2=CS1
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Product OPENEYE NAME: N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CAS Name: N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
IUPAC NAME: N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
SYSTEMATIC NAME: N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
MOLECULAR FORMULA: C11H10F3N3O3S
MOLECULAR WEIGHT: 321.27561
SMILES: C1CN(N=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2C(F)(F)F
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Product OPENEYE NAME: 4,5-dihydro-3H-pyrazole-3-carboxamide
CAS Name: 4,5-dihydro-3H-pyrazole-3-carboxamide
IUPAC NAME: 4,5-dihydro-3H-pyrazole-3-carboxamide
SYSTEMATIC NAME: 4,5-dihydro-3H-pyrazole-3-carboxamide
MOLECULAR FORMULA: C4H7N3O
MOLECULAR WEIGHT: 113.11788
SMILES: C1CN=NC1C(=O)N
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Product OPENEYE NAME: 2-(2-furyl)-3,4-dihydropyrazole
CAS Name: 2-(2-furanyl)-3,4-dihydropyrazole
IUPAC NAME: 2-(furan-2-yl)-3,4-dihydropyrazole
SYSTEMATIC NAME: 2-(furan-2-yl)-3,4-dihydropyrazole
MOLECULAR FORMULA: C7H8N2O
MOLECULAR WEIGHT: 136.15122
SMILES: C1CN(N=C1)C2=CC=CO2
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Product OPENEYE NAME: 3,5,5-trimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-4H-pyrazole-1-carboxamide
CAS Name: 3,5,5-trimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-4H-pyrazole-1-carboxamide
IUPAC NAME: 3,5,5-trimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-4H-pyrazole-1-carboxamide
SYSTEMATIC NAME: 3,5,5-trimethyl-N-[2-(trifluoromethyloxy)phenyl]sulfonyl-4H-pyrazole-1-carboxamide
MOLECULAR FORMULA: C14H16F3N3O4S
MOLECULAR WEIGHT: 379.35475
SMILES: CC1=NN(C(C1)(C)C)C(=O)NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F
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Product OPENEYE NAME: N-[2-(difluoromethoxy)phenyl]sulfonyl-5-methyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CAS Name: N-[2-(difluoromethoxy)phenyl]sulfonyl-5-methyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
IUPAC NAME: N-[2-(difluoromethoxy)phenyl]sulfonyl-5-methyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SYSTEMATIC NAME: N-[2-[bis(fluoranyl)methoxy]phenyl]sulfonyl-5-methyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
MOLECULAR FORMULA: C18H17F2N3O4S
MOLECULAR WEIGHT: 409.407086
SMILES: CC1=NN(CC1C2=CC=CC=C2)C(=O)NS(=O)(=O)C3=CC=CC=C3OC(F)F
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Product OPENEYE NAME: 1,1-bis(4-methoxyphenyl)propylphosphane
CAS Name: 1,1-bis(4-methoxyphenyl)propylphosphine
IUPAC NAME: 1,1-bis(4-methoxyphenyl)propylphosphane
SYSTEMATIC NAME: 1,1-bis(4-methoxyphenyl)propylphosphane
MOLECULAR FORMULA: C17H21O2P
MOLECULAR WEIGHT: 288.321201
SMILES: CCC(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)P
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Product OPENEYE NAME: trisodium; acetic acid; 2-[bis(carboxylatomethyl)amino]acetate; 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid; ethane-1,2-diamine
CAS Name: trisodium; acetic acid; 2-[bis(carboxylatomethyl)amino]acetate; 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid; ethane-1,2-diamine
IUPAC NAME: trisodium; acetic acid; 2-[bis(carboxylatomethyl)amino]acetate; 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid; ethane-1,2-diamine
SYSTEMATIC NAME: trisodium; 2-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid; 2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate; ethane-1,2-diamine; ethanoic acid
MOLECULAR FORMULA: C26H46N5Na3O22
MOLECULAR WEIGHT: 849.63305
SMILES: CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.C(CN)N.C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
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