Product OPENEYE NAME: potassium trisodium phosphonato phosphate
CAS Name: potassium trisodium phosphonato phosphate
IUPAC NAME: potassium trisodium phosphonato phosphate
SYSTEMATIC NAME: potassium trisodium phosphonato phosphate
MOLECULAR FORMULA: KNa3O7P2
MOLECULAR WEIGHT: 282.010932
SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[K+]
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Product OPENEYE NAME: tripotassium sodium phosphonato phosphate
CAS Name: tripotassium sodium phosphonato phosphate
IUPAC NAME: tripotassium sodium phosphonato phosphate
SYSTEMATIC NAME: tripotassium sodium phosphonato phosphate
MOLECULAR FORMULA: K3NaO7P2
MOLECULAR WEIGHT: 314.227992
SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[K+].[K+].[K+]
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Product OPENEYE NAME: N-(hydrazinesulfonyl)-4-hydroxy-3-(2-hydroxyphenoxy)benzenesulfonohydrazide
CAS Name: N-(hydrazinesulfonyl)-4-hydroxy-3-(2-hydroxyphenoxy)benzenesulfonohydrazide
IUPAC NAME: N-(hydrazinesulfonyl)-4-hydroxy-3-(2-hydroxyphenoxy)benzenesulfonohydrazide
SYSTEMATIC NAME: N-(aminosulfamoyl)-4-oxidanyl-3-(2-oxidanylphenoxy)benzenesulfonohydrazide
MOLECULAR FORMULA: C12H14N4O7S2
MOLECULAR WEIGHT: 390.39216
SMILES: C1=CC=C(C(=C1)O)OC2=C(C=CC(=C2)S(=O)(=O)N(N)S(=O)(=O)NN)O
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Product OPENEYE NAME: calcium; barium(2+); dodecanoate; octadecanoate
CAS Name: calcium; barium(2+); dodecanoate; octadecanoate
IUPAC NAME: calcium; barium(2+); dodecanoate; octadecanoate
SYSTEMATIC NAME: calcium; barium(2+); dodecanoate; octadecanoate
MOLECULAR FORMULA: C30H58BaCaO4+2
MOLECULAR WEIGHT: 660.18412
SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Ca+2].[Ba+2]
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Product OPENEYE NAME: 3-[2-(diethylaminomethyl)-2-methyl-3-propoxy-propoxy]propane-1,1-diamine
CAS Name: 3-[2-(diethylaminomethyl)-2-methyl-3-propoxypropoxy]propane-1,1-diamine
IUPAC NAME: 3-[2-(diethylaminomethyl)-2-methyl-3-propoxypropoxy]propane-1,1-diamine
SYSTEMATIC NAME: 3-[2-(diethylaminomethyl)-2-methyl-3-propoxy-propoxy]propane-1,1-diamine
MOLECULAR FORMULA: C15H35N3O2
MOLECULAR WEIGHT: 289.4573
SMILES: CCCOCC(C)(CN(CC)CC)COCCC(N)N
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Product OPENEYE NAME: 1-[4-(2-aminoethyl)piperazin-1-yl]ethanamine
CAS Name: 1-[4-(2-aminoethyl)-1-piperazinyl]ethanamine
IUPAC NAME: 1-[4-(2-aminoethyl)piperazin-1-yl]ethanamine
SYSTEMATIC NAME: 1-[4-(2-azanylethyl)piperazin-1-yl]ethanamine
MOLECULAR FORMULA: C8H20N4
MOLECULAR WEIGHT: 172.2712
SMILES: CC(N)N1CCN(CC1)CCN
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Product OPENEYE NAME: 2-[2-[(E)-3-hydroxyprop-2-enoyl]oxyethoxycarbonyl]benzoic acid
CAS Name: 2-[2-[(E)-3-hydroxy-1-oxoprop-2-enoxy]ethoxy-oxomethyl]benzoic acid
IUPAC NAME: 2-[2-[(E)-3-hydroxyprop-2-enoyl]oxyethoxycarbonyl]benzoic acid
SYSTEMATIC NAME: 2-[2-[(E)-3-oxidanylprop-2-enoyl]oxyethoxycarbonyl]benzoic acid
MOLECULAR FORMULA: C13H12O7
MOLECULAR WEIGHT: 280.23018
SMILES: C1=CC=C(C(=C1)C(=O)O)C(=O)OCCOC(=O)/C=C/O
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Product OPENEYE NAME: 3,5-bis(aminomethyl)benzenesulfonic acid
CAS Name: 3,5-bis(aminomethyl)benzenesulfonic acid
IUPAC NAME: 3,5-bis(aminomethyl)benzenesulfonic acid
SYSTEMATIC NAME: 3,5-bis(aminomethyl)benzenesulfonic acid
MOLECULAR FORMULA: C8H12N2O3S
MOLECULAR WEIGHT: 216.25748
SMILES: C1=C(C=C(C=C1CN)S(=O)(=O)O)CN
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Product OPENEYE NAME: 3,5-bis(2-aminoethyl)benzenesulfonic acid
CAS Name: 3,5-bis(2-aminoethyl)benzenesulfonic acid
IUPAC NAME: 3,5-bis(2-aminoethyl)benzenesulfonic acid
SYSTEMATIC NAME: 3,5-bis(2-azanylethyl)benzenesulfonic acid
MOLECULAR FORMULA: C10H16N2O3S
MOLECULAR WEIGHT: 244.31064
SMILES: C1=C(C=C(C=C1CCN)S(=O)(=O)O)CCN
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Product OPENEYE NAME: bis[2-(1-hydroxyethyl)-4-methyl-pent-4-enyl] benzene-1,2-dicarboxylate
CAS Name: benzene-1,2-dicarboxylic acid bis[2-(1-hydroxyethyl)-4-methylpent-4-enyl] ester
IUPAC NAME: bis[2-(1-hydroxyethyl)-4-methylpent-4-enyl] benzene-1,2-dicarboxylate
SYSTEMATIC NAME: bis[2-(1-hydroxyethyl)-4-methyl-pent-4-enyl] benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C24H34O6
MOLECULAR WEIGHT: 418.52316
SMILES: CC(C(CC(=C)C)COC(=O)C1=CC=CC=C1C(=O)OCC(CC(=C)C)C(C)O)O
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Product OPENEYE NAME: 5-phenylpyrimido[4,5-b]quinoline
CAS Name: 5-phenylpyrimido[4,5-b]quinoline
IUPAC NAME: 5-phenylpyrimido[4,5-b]quinoline
SYSTEMATIC NAME: 5-phenylpyrimido[4,5-b]quinoline
MOLECULAR FORMULA: C17H11N3
MOLECULAR WEIGHT: 257.28934
SMILES: C1=CC=C(C=C1)C2=C3C=NC=NC3=NC4=CC=CC=C42
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Product OPENEYE NAME: aminourea phosphate
CAS Name: aminourea phosphate
IUPAC NAME: aminourea phosphate
SYSTEMATIC NAME: 1-azanylurea phosphate
MOLECULAR FORMULA: CH5N3O5P-3
MOLECULAR WEIGHT: 170.041261
SMILES: C(=O)(N)NN.[O-]P(=O)([O-])[O-]
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Product OPENEYE NAME: 1,4-diazidophenanthrene-2,3-dione
CAS Name: 1,4-diazidophenanthrene-2,3-dione
IUPAC NAME: 1,4-diazidophenanthrene-2,3-dione
SYSTEMATIC NAME: 1,4-diazidophenanthrene-2,3-dione
MOLECULAR FORMULA: C14H6N6O2
MOLECULAR WEIGHT: 290.23644
SMILES: C1=CC=C2C(=C1)C=CC3=C(C(=O)C(=O)C(=C32)N=[N+]=[N-])N=[N+]=[N-]
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Product OPENEYE NAME: (2-vinylphenyl)sulfonyl acetate
CAS Name: acetic acid (2-ethenylphenyl)sulfonyl ester
IUPAC NAME: (2-ethenylphenyl)sulfonyl acetate
SYSTEMATIC NAME: (2-ethenylphenyl)sulfonyl ethanoate
MOLECULAR FORMULA: C10H10O4S
MOLECULAR WEIGHT: 226.249
SMILES: CC(=O)OS(=O)(=O)C1=CC=CC=C1C=C
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Product OPENEYE NAME: benzenesulfonyl (2E)-penta-2,4-dienoate
CAS Name: (2E)-penta-2,4-dienoic acid benzenesulfonyl ester
IUPAC NAME: benzenesulfonyl (2E)-penta-2,4-dienoate
SYSTEMATIC NAME: phenylsulfonyl (2E)-penta-2,4-dienoate
MOLECULAR FORMULA: C11H10O4S
MOLECULAR WEIGHT: 238.2597
SMILES: C=C/C=C/C(=O)OS(=O)(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 4,4-diaminocyclopentane-1,3-dione
CAS Name: 4,4-diaminocyclopentane-1,3-dione
IUPAC NAME: 4,4-diaminocyclopentane-1,3-dione
SYSTEMATIC NAME: 4,4-bis(azanyl)cyclopentane-1,3-dione
MOLECULAR FORMULA: C5H8N2O2
MOLECULAR WEIGHT: 128.12922
SMILES: C1C(=O)CC(C1=O)(N)N
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Product OPENEYE NAME: 4-butylpiperidine-2-carboxylic acid
CAS Name: 4-butyl-2-piperidinecarboxylic acid
IUPAC NAME: 4-butylpiperidine-2-carboxylic acid
SYSTEMATIC NAME: 4-butylpiperidine-2-carboxylic acid
MOLECULAR FORMULA: C10H19NO2
MOLECULAR WEIGHT: 185.26336
SMILES: CCCCC1CCNC(C1)C(=O)O
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Product OPENEYE NAME: [5-hydroxy-6-[2-hydroxy-3-[(4-hydroxy-3-isopentyl-benzoyl)amino]-8-methyl-4-oxo-chromen-7-yl]oxy-3-methoxy-2,2-dimethyl-tetrahydropyran-4-yl] carbamate
CAS Name: carbamic acid [5-hydroxy-6-[[2-hydroxy-3-[[[4-hydroxy-3-(3-methylbutyl)phenyl]-oxomethyl]amino]-8-methyl-4-oxo-1-benzopyran-7-yl]oxy]-3-methoxy-2,2-dimethyl-4-oxanyl] ester
IUPAC NAME: [5-hydroxy-6-[2-hydroxy-3-[[4-hydroxy-3-(3-methylbutyl)benzoyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
SYSTEMATIC NAME: [3-methoxy-2,2-dimethyl-6-[8-methyl-3-[[3-(3-methylbutyl)-4-oxidanyl-phenyl]carbonylamino]-2-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-5-oxidanyl-oxan-4-yl] carbamate
MOLECULAR FORMULA: C31H38N2O11
MOLECULAR WEIGHT: 614.64022
SMILES: CC1=C(C=CC2=C1OC(=C(C2=O)NC(=O)C3=CC(=C(C=C3)O)CCC(C)C)O)OC4C(C(C(C(O4)(C)C)OC)OC(=O)N)O
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Product OPENEYE NAME: sodium [11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] phosphate
CAS Name: sodium [11-hydroxy-17-(2-hydroxy-1-oxoethyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] phosphate
IUPAC NAME: sodium [11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] phosphate
SYSTEMATIC NAME: sodium [6,10,13-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] phosphate
MOLECULAR FORMULA: C22H29NaO8P-
MOLECULAR WEIGHT: 475.424391
SMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)OP(=O)([O-])[O-].[Na+]
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Product OPENEYE NAME: (2-hydroxy-3-indol-1-yl-propoxy) dihydrogen phosphate
CAS Name: [2-hydroxy-3-(1-indolyl)propoxy] dihydrogen phosphate
IUPAC NAME: (2-hydroxy-3-indol-1-ylpropoxy) dihydrogen phosphate
SYSTEMATIC NAME: (3-indol-1-yl-2-oxidanyl-propoxy) dihydrogen phosphate
MOLECULAR FORMULA: C11H14NO6P
MOLECULAR WEIGHT: 287.205721
SMILES: C1=CC=C2C(=C1)C=CN2CC(COOP(=O)(O)O)O
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Product OPENEYE NAME: potassium palladium(2+) nitrate
CAS Name: potassium palladium(2+) nitrate
IUPAC NAME: potassium palladium(2+) nitrate
SYSTEMATIC NAME: potassium palladium(2+) nitrate
MOLECULAR FORMULA: KNO3Pd+2
MOLECULAR WEIGHT: 207.5232
SMILES: [N+](=O)([O-])[O-].[K+].[Pd+2]
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Product OPENEYE NAME: 2-(pentoxymethyl)oxirane; phenol
CAS Name: 2-(pentoxymethyl)oxirane; phenol
IUPAC NAME: 2-(pentoxymethyl)oxirane; phenol
SYSTEMATIC NAME: 2-(pentoxymethyl)oxirane; phenol
MOLECULAR FORMULA: C14H22O3
MOLECULAR WEIGHT: 238.32268
SMILES: CCCCCOCC1CO1.C1=CC=C(C=C1)O
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Product OPENEYE NAME: sodium sulfurothioic O-acid hydrobromide
CAS Name: sodium sulfurothioic O-acid hydrobromide
IUPAC NAME: sodium sulfurothioic O-acid hydrobromide
SYSTEMATIC NAME: sodium sulfurothioic O-acid hydrobromide
MOLECULAR FORMULA: BrH3NaO3S2+
MOLECULAR WEIGHT: 218.04579
SMILES: OS(=O)(=S)O.[Na+].Br
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