Product OPENEYE NAME: butane-1,2,3,4-tetrol; 3-sulfanylpropanoic acid
CAS Name: butane-1,2,3,4-tetrol; 3-mercaptopropanoic acid
IUPAC NAME: butane-1,2,3,4-tetrol; 3-sulfanylpropanoic acid
SYSTEMATIC NAME: butane-1,2,3,4-tetrol; 3-sulfanylpropanoic acid
MOLECULAR FORMULA: C22H46O16S6
MOLECULAR WEIGHT: 758.98104
SMILES: C(CS)C(=O)O.C(CS)C(=O)O.C(CS)C(=O)O.C(CS)C(=O)O.C(CS)C(=O)O.C(CS)C(=O)O.C(C(C(CO)O)O)O
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Product OPENEYE NAME: (1,2-diethylcyclohexyl)-dodecyl-ammonium sulfate
CAS Name: (1,2-diethylcyclohexyl)-dodecylammonium sulfate
IUPAC NAME: (1,2-diethylcyclohexyl)-dodecylazanium sulfate
SYSTEMATIC NAME: (1,2-diethylcyclohexyl)-dodecyl-azanium sulfate
MOLECULAR FORMULA: C22H46NO4S-
MOLECULAR WEIGHT: 420.66994
SMILES: CCCCCCCCCCCC[NH2+]C1(CCCCC1CC)CC.[O-]S(=O)(=O)[O-]
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Product OPENEYE NAME: N-dodecyl-1,2-diethyl-cyclohexanamine
CAS Name: N-dodecyl-1,2-diethyl-1-cyclohexanamine
IUPAC NAME: N-dodecyl-1,2-diethylcyclohexan-1-amine
SYSTEMATIC NAME: N-dodecyl-1,2-diethyl-cyclohexan-1-amine
MOLECULAR FORMULA: C22H45N
MOLECULAR WEIGHT: 323.5994
SMILES: CCCCCCCCCCCCNC1(CCCCC1CC)CC
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Product OPENEYE NAME: 1,1-dioctylnonylammonium phosphate
CAS Name: 9-octylheptadecan-9-ylammonium phosphate
IUPAC NAME: 9-octylheptadecan-9-ylazanium phosphate
SYSTEMATIC NAME: 9-octylheptadecan-9-ylazanium phosphate
MOLECULAR FORMULA: C25H54NO4P-2
MOLECULAR WEIGHT: 463.674321
SMILES: CCCCCCCCC(CCCCCCCC)(CCCCCCCC)[NH3+].[O-]P(=O)([O-])[O-]
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Product OPENEYE NAME: 1-(2-nitrophenyl)-4H-pyridine-3,5-dicarbonitrile
CAS Name: 1-(2-nitrophenyl)-4H-pyridine-3,5-dicarbonitrile
IUPAC NAME: 1-(2-nitrophenyl)-4H-pyridine-3,5-dicarbonitrile
SYSTEMATIC NAME: 1-(2-nitrophenyl)-4H-pyridine-3,5-dicarbonitrile
MOLECULAR FORMULA: C13H8N4O2
MOLECULAR WEIGHT: 252.22822
SMILES: C1C(=CN(C=C1C#N)C2=CC=CC=C2[N+](=O)[O-])C#N
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H23Cl
MOLECULAR WEIGHT: 274.82822
SMILES: C1CCC2(C(C1)C3C=CC=CC3C4CC4C5C2C5)Cl
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Product OPENEYE NAME: 1,2,3-trichloro-4-dodecyl-benzene
CAS Name: 1,2,3-trichloro-4-dodecylbenzene
IUPAC NAME: 1,2,3-trichloro-4-dodecylbenzene
SYSTEMATIC NAME: 1,2,3-tris(chloranyl)-4-dodecyl-benzene
MOLECULAR FORMULA: C18H27Cl3
MOLECULAR WEIGHT: 349.76598
SMILES: CCCCCCCCCCCCC1=C(C(=C(C=C1)Cl)Cl)Cl
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Product OPENEYE NAME: 5,5-diethoxy-2-ethylsulfanyl-6,6-diisocyanato-cyclohexa-1,3-diene; ethylene glycol
CAS Name: 5,5-diethoxy-2-(ethylthio)-6,6-diisocyanatocyclohexa-1,3-diene; ethane-1,2-diol
IUPAC NAME: 5,5-diethoxy-2-ethylsulfanyl-6,6-diisocyanatocyclohexa-1,3-diene; ethane-1,2-diol
SYSTEMATIC NAME: 5,5-diethoxy-2-ethylsulfanyl-6,6-diisocyanato-cyclohexa-1,3-diene; ethane-1,2-diol
MOLECULAR FORMULA: C16H24N2O6S
MOLECULAR WEIGHT: 372.43656
SMILES: CCOC1(C=CC(=CC1(N=C=O)N=C=O)SCC)OCC.C(CO)O
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Product OPENEYE NAME: 5,5-diethoxy-2-ethylsulfanyl-6,6-diisocyanato-cyclohexa-1,3-diene
CAS Name: 5,5-diethoxy-2-(ethylthio)-6,6-diisocyanatocyclohexa-1,3-diene
IUPAC NAME: 5,5-diethoxy-2-ethylsulfanyl-6,6-diisocyanatocyclohexa-1,3-diene
SYSTEMATIC NAME: 5,5-diethoxy-2-ethylsulfanyl-6,6-diisocyanato-cyclohexa-1,3-diene
MOLECULAR FORMULA: C14H18N2O4S
MOLECULAR WEIGHT: 310.36872
SMILES: CCOC1(C=CC(=CC1(N=C=O)N=C=O)SCC)OCC
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Product OPENEYE NAME: 2,2,3,3-tetramethyldecanedioic acid
CAS Name: 2,2,3,3-tetramethyldecanedioic acid
IUPAC NAME: 2,2,3,3-tetramethyldecanedioic acid
SYSTEMATIC NAME: 2,2,3,3-tetramethyldecanedioic acid
MOLECULAR FORMULA: C14H26O4
MOLECULAR WEIGHT: 258.35384
SMILES: CC(C)(CCCCCCC(=O)O)C(C)(C)C(=O)O
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Product OPENEYE NAME: 2-(benzenesulfonyl)-5,5-diethoxy-6,6-diisocyanato-cyclohexa-1,3-diene
CAS Name: 2-(benzenesulfonyl)-5,5-diethoxy-6,6-diisocyanatocyclohexa-1,3-diene
IUPAC NAME: 2-(benzenesulfonyl)-5,5-diethoxy-6,6-diisocyanatocyclohexa-1,3-diene
SYSTEMATIC NAME: 5,5-diethoxy-6,6-diisocyanato-2-(phenylsulfonyl)cyclohexa-1,3-diene
MOLECULAR FORMULA: C18H18N2O6S
MOLECULAR WEIGHT: 390.41032
SMILES: CCOC1(C=CC(=CC1(N=C=O)N=C=O)S(=O)(=O)C2=CC=CC=C2)OCC
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Product OPENEYE NAME: 6,6-diethyl-5,5-diisocyanato-2-phenyl-cyclohexa-1,3-diene
CAS Name: 6,6-diethyl-5,5-diisocyanato-2-phenylcyclohexa-1,3-diene
IUPAC NAME: 6,6-diethyl-5,5-diisocyanato-2-phenylcyclohexa-1,3-diene
SYSTEMATIC NAME: 6,6-diethyl-5,5-diisocyanato-2-phenyl-cyclohexa-1,3-diene
MOLECULAR FORMULA: C18H18N2O2
MOLECULAR WEIGHT: 294.34772
SMILES: CCC1(C=C(C=CC1(N=C=O)N=C=O)C2=CC=CC=C2)CC
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Product OPENEYE NAME: 2-(benzylsulfanylmethyl)-6,6-diethoxy-5,5-diisocyanato-cyclohexa-1,3-diene
CAS Name: 6,6-diethoxy-5,5-diisocyanato-2-[(phenylmethylthio)methyl]cyclohexa-1,3-diene
IUPAC NAME: 2-(benzylsulfanylmethyl)-6,6-diethoxy-5,5-diisocyanatocyclohexa-1,3-diene
SYSTEMATIC NAME: 6,6-diethoxy-5,5-diisocyanato-2-[(phenylmethylsulfanyl)methyl]cyclohexa-1,3-diene
MOLECULAR FORMULA: C20H22N2O4S
MOLECULAR WEIGHT: 386.46468
SMILES: CCOC1(C=C(C=CC1(N=C=O)N=C=O)CSCC2=CC=CC=C2)OCC
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Product OPENEYE NAME: 1-chloro-2-isocyanato-3-propyl-benzene
CAS Name: 1-chloro-2-isocyanato-3-propylbenzene
IUPAC NAME: 1-chloro-2-isocyanato-3-propylbenzene
SYSTEMATIC NAME: 1-chloranyl-2-isocyanato-3-propyl-benzene
MOLECULAR FORMULA: C10H10ClNO
MOLECULAR WEIGHT: 195.6455
SMILES: CCCC1=C(C(=CC=C1)Cl)N=C=O
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Product OPENEYE NAME: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-carboxyethoxyimino)acetyl]amino]-8-oxo-3-(1-pyridin-1-ium-1-ylsulfanylpropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(2-carboxyethoxyimino)-1-oxoethyl]amino]-8-oxo-3-[1-(1-pyridin-1-iumylthio)propyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxyethoxyimino)acetyl]amino]-8-oxo-3-(1-pyridin-1-ium-1-ylsulfanylpropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(3-hydroxy-3-oxopropyloxyimino)ethanoyl]amino]-8-oxidanylidene-3-(1-pyridin-1-ium-1-ylsulfanylpropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C23H24N6O7S3
MOLECULAR WEIGHT: 592.66766
SMILES: CCC(C1=C(N2C(C(C2=O)NC(=O)/C(=N/OCCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)[O-])S[N+]4=CC=CC=C4
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Product OPENEYE NAME: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-carboxyethoxyimino)acetyl]amino]-8-oxo-3-(1-pyridin-1-ium-1-ylsulfanylpropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(2-carboxyethoxyimino)-1-oxoethyl]amino]-8-oxo-3-[1-(1-pyridin-1-iumylthio)propyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxyethoxyimino)acetyl]amino]-8-oxo-3-(1-pyridin-1-ium-1-ylsulfanylpropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(3-hydroxy-3-oxopropyloxyimino)ethanoyl]amino]-8-oxidanylidene-3-(1-pyridin-1-ium-1-ylsulfanylpropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C23H25N6O7S3+
MOLECULAR WEIGHT: 593.6756
SMILES: CCC(C1=C(N2C(C(C2=O)NC(=O)/C(=N/OCCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O)S[N+]4=CC=CC=C4
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Product OPENEYE NAME: 4-(2-aminothiazol-4-yl)-4-[[[(2E)-2-(1-carboxy-1-methyl-propoxy)iminoacetyl]amino]-pyridin-1-ium-1-yl-methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 4-(2-amino-4-thiazolyl)-4-[[[(2E)-2-(2-carboxybutan-2-yloxyimino)-1-oxoethyl]amino]-(1-pyridin-1-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: 4-(2-amino-1,3-thiazol-4-yl)-4-[[[(2E)-2-(2-carboxybutan-2-yloxyimino)acetyl]amino]-pyridin-1-ium-1-ylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 4-(2-azanyl-1,3-thiazol-4-yl)-4-[[[(2E)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)oxyiminoethanoyl]amino]-pyridin-1-ium-1-yl-methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C23H24N6O7S2
MOLECULAR WEIGHT: 560.60266
SMILES: CCC(C)(C(=O)O)O/N=C/C(=O)NC(C1(C=C(N2C(S1)CC2=O)C(=O)[O-])C3=CSC(=N3)N)[N+]4=CC=CC=C4
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Product OPENEYE NAME: 4-(2-aminothiazol-4-yl)-4-[[[(2E)-2-(1-carboxy-1-methyl-propoxy)iminoacetyl]amino]-pyridin-1-ium-1-yl-methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 4-(2-amino-4-thiazolyl)-4-[[[(2E)-2-(2-carboxybutan-2-yloxyimino)-1-oxoethyl]amino]-(1-pyridin-1-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 4-(2-amino-1,3-thiazol-4-yl)-4-[[[(2E)-2-(2-carboxybutan-2-yloxyimino)acetyl]amino]-pyridin-1-ium-1-ylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 4-(2-azanyl-1,3-thiazol-4-yl)-4-[[[(2E)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)oxyiminoethanoyl]amino]-pyridin-1-ium-1-yl-methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C23H25N6O7S2+
MOLECULAR WEIGHT: 561.6106
SMILES: CCC(C)(C(=O)O)O/N=C/C(=O)NC(C1(C=C(N2C(S1)CC2=O)C(=O)O)C3=CSC(=N3)N)[N+]4=CC=CC=C4
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Product OPENEYE NAME: sodium 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-carboxylatoethoxyimino)acetyl]amino]-8-oxo-3-(1-pyridin-1-ium-1-ylsulfanylpropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: sodium 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(2-carboxylatoethoxyimino)-1-oxoethyl]amino]-8-oxo-3-[1-(1-pyridin-1-iumylthio)propyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: sodium 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatoethoxyimino)acetyl]amino]-8-oxo-3-(1-pyridin-1-ium-1-ylsulfanylpropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(3-oxidanidyl-3-oxidanylidene-propoxy)imino-ethanoyl]amino]-8-oxidanylidene-3-(1-pyridin-1-ium-1-ylsulfanylpropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C23H23N6NaO7S3
MOLECULAR WEIGHT: 614.64949
SMILES: CCC(C1=C(N2C(C(C2=O)NC(=O)/C(=N/OCCC(=O)[O-])/C3=CSC(=N3)N)SC1)C(=O)[O-])S[N+]4=CC=CC=C4.[Na+]
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Product OPENEYE NAME: 2-(1-carboxy-1-methyl-ethyl)-4-[(E)-methoxyazo]thiazole-5-carboxylic acid
CAS Name: 2-(2-carboxypropan-2-yl)-4-[(E)-methoxyazo]-5-thiazolecarboxylic acid
IUPAC NAME: 2-(2-carboxypropan-2-yl)-4-[(E)-methoxydiazenyl]-1,3-thiazole-5-carboxylic acid
SYSTEMATIC NAME: 4-[(E)-methoxydiazenyl]-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-1,3-thiazole-5-carboxylic acid
MOLECULAR FORMULA: C9H11N3O5S
MOLECULAR WEIGHT: 273.26574
SMILES: CC(C)(C1=NC(=C(S1)C(=O)O)/N=N/OC)C(=O)O
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Product OPENEYE NAME: 2-[2,3-dibromo-4-[2,3-dibromo-4-(2-hydroxyethoxy)phenyl]sulfonyl-phenoxy]ethanol
CAS Name: 2-[2,3-dibromo-4-[2,3-dibromo-4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol
IUPAC NAME: 2-[2,3-dibromo-4-[2,3-dibromo-4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol
SYSTEMATIC NAME: 2-[4-[2,3-bis(bromanyl)-4-(2-hydroxyethyloxy)phenyl]sulfonyl-2,3-bis(bromanyl)phenoxy]ethanol
MOLECULAR FORMULA: C16H14Br4O6S
MOLECULAR WEIGHT: 653.95976
SMILES: C1=CC(=C(C(=C1OCCO)Br)Br)S(=O)(=O)C2=C(C(=C(C=C2)OCCO)Br)Br
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