Product OPENEYE NAME: 1-hydroxy-5-methoxy-3-methyl-6-[[7-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]pyrazin-2-one; iron
CAS Name: 1-hydroxy-5-methoxy-3-methyl-6-[[7-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-2-pyrazinone; iron
IUPAC NAME: 1-hydroxy-5-methoxy-3-methyl-6-[[7-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]pyrazin-2-one; iron
SYSTEMATIC NAME: iron; 5-methoxy-3-methyl-6-[[7-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-1-oxidanyl-pyrazin-2-one
MOLECULAR FORMULA: C20H23FeN3O3
MOLECULAR WEIGHT: 409.25992
SMILES: CC1=NC(=C(N(C1=O)O)CC2=CNC3=C2C=CC=C3CC=C(C)C)OC.[Fe]
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Product OPENEYE NAME: 2-[5-(hydroxymethyl)-4-methyl-3-oxo-pyrazin-2-yl]guanidine
CAS Name: 2-[5-(hydroxymethyl)-4-methyl-3-oxo-2-pyrazinyl]guanidine
IUPAC NAME: 2-[5-(hydroxymethyl)-4-methyl-3-oxopyrazin-2-yl]guanidine
SYSTEMATIC NAME: 2-[5-(hydroxymethyl)-4-methyl-3-oxidanylidene-pyrazin-2-yl]guanidine
MOLECULAR FORMULA: C7H11N5O2
MOLECULAR WEIGHT: 197.19454
SMILES: CN1C(=CN=C(C1=O)N=C(N)N)CO
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Product OPENEYE NAME: hexyl 3,5-ditert-butyl-4-[chloro-(2,6-ditert-butyl-4-hexoxycarbonyl-phenoxy)phosphanyl]oxy-benzoate
CAS Name: 3,5-ditert-butyl-4-[chloro-[2,6-ditert-butyl-4-[hexoxy(oxo)methyl]phenoxy]phosphino]oxybenzoic acid hexyl ester
IUPAC NAME: hexyl 3,5-ditert-butyl-4-[chloro-(2,6-ditert-butyl-4-hexoxycarbonylphenoxy)phosphanyl]oxybenzoate
SYSTEMATIC NAME: hexyl 3,5-ditert-butyl-4-[chloranyl-(2,6-ditert-butyl-4-hexoxycarbonyl-phenoxy)phosphanyl]oxy-benzoate
MOLECULAR FORMULA: C42H66ClO6P
MOLECULAR WEIGHT: 733.396601
SMILES: CCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)OP(OC2=C(C=C(C=C2C(C)(C)C)C(=O)OCCCCCC)C(C)(C)C)Cl)C(C)(C)C
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Product OPENEYE NAME: 2-ethylhexyl 3,5-ditert-butyl-4-[chloro-[2,6-ditert-butyl-4-(2-ethylhexoxycarbonyl)phenoxy]phosphanyl]oxy-benzoate
CAS Name: 3,5-ditert-butyl-4-[chloro-[2,6-ditert-butyl-4-[2-ethylhexoxy(oxo)methyl]phenoxy]phosphino]oxybenzoic acid 2-ethylhexyl ester
IUPAC NAME: 2-ethylhexyl 3,5-ditert-butyl-4-[chloro-[2,6-ditert-butyl-4-(2-ethylhexoxycarbonyl)phenoxy]phosphanyl]oxybenzoate
SYSTEMATIC NAME: 2-ethylhexyl 3,5-ditert-butyl-4-[chloranyl-[2,6-ditert-butyl-4-(2-ethylhexoxycarbonyl)phenoxy]phosphanyl]oxy-benzoate
MOLECULAR FORMULA: C46H74ClO6P
MOLECULAR WEIGHT: 789.502921
SMILES: CCCCC(CC)COC(=O)C1=CC(=C(C(=C1)C(C)(C)C)OP(OC2=C(C=C(C=C2C(C)(C)C)C(=O)OCC(CC)CCCC)C(C)(C)C)Cl)C(C)(C)C
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Product OPENEYE NAME: dodecyl 3,5-ditert-butyl-4-[chloro-(2,6-ditert-butyl-4-dodecoxycarbonyl-phenoxy)phosphanyl]oxy-benzoate
CAS Name: 3,5-ditert-butyl-4-[chloro-[2,6-ditert-butyl-4-[dodecoxy(oxo)methyl]phenoxy]phosphino]oxybenzoic acid dodecyl ester
IUPAC NAME: dodecyl 3,5-ditert-butyl-4-[chloro-(2,6-ditert-butyl-4-dodecoxycarbonylphenoxy)phosphanyl]oxybenzoate
SYSTEMATIC NAME: dodecyl 3,5-ditert-butyl-4-[chloranyl-(2,6-ditert-butyl-4-dodecoxycarbonyl-phenoxy)phosphanyl]oxy-benzoate
MOLECULAR FORMULA: C54H90ClO6P
MOLECULAR WEIGHT: 901.715561
SMILES: CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)OP(OC2=C(C=C(C=C2C(C)(C)C)C(=O)OCCCCCCCCCCCC)C(C)(C)C)Cl)C(C)(C)C
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Product OPENEYE NAME: dimethyl 1,9-ditert-butyl-11-chloro-5H-benzo[d][1,3,2]benzodioxaphosphocine-3,7-dicarboxylate
CAS Name: 1,9-ditert-butyl-11-chloro-5H-benzo[d][1,3,2]benzodioxaphosphocin-3,7-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 1,9-ditert-butyl-11-chloro-5H-benzo[d][1,3,2]benzodioxaphosphocine-3,7-dicarboxylate
SYSTEMATIC NAME: dimethyl 1,9-ditert-butyl-11-chloranyl-5H-benzo[d][1,3,2]benzodioxaphosphocine-3,7-dicarboxylate
MOLECULAR FORMULA: C25H30ClO6P
MOLECULAR WEIGHT: 492.928861
SMILES: CC(C)(C)C1=CC(=CC2=C1OP(OC3=C(C2)C=C(C=C3C(C)(C)C)C(=O)OC)Cl)C(=O)OC
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Product OPENEYE NAME: (3-oxocyclohexen-1-yl) 1H-indole-3-carboxylate
CAS Name: 1H-indole-3-carboxylic acid (3-oxo-1-cyclohexenyl) ester
IUPAC NAME: (3-oxocyclohexen-1-yl) 1H-indole-3-carboxylate
SYSTEMATIC NAME: (3-oxidanylidenecyclohexen-1-yl) 1H-indole-3-carboxylate
MOLECULAR FORMULA: C15H13NO3
MOLECULAR WEIGHT: 255.26862
SMILES: C1CC(=CC(=O)C1)OC(=O)C2=CNC3=CC=CC=C32
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Product OPENEYE NAME: dimethyl (Z)-3-(2-hydroxyphenyl)sulfanylpent-2-enedioate
CAS Name: (Z)-3-[(2-hydroxyphenyl)thio]-2-pentenedioic acid dimethyl ester
IUPAC NAME: dimethyl (Z)-3-(2-hydroxyphenyl)sulfanylpent-2-enedioate
SYSTEMATIC NAME: dimethyl (Z)-3-(2-hydroxyphenyl)sulfanylpent-2-enedioate
MOLECULAR FORMULA: C13H14O5S
MOLECULAR WEIGHT: 282.31226
SMILES: COC(=O)C/C(=C/C(=O)OC)/SC1=CC=CC=C1O
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Product OPENEYE NAME: methyl (Z)-3-[2-[(E)-1-(2-methoxy-2-oxo-ethyl)prop-1-enoxy]phenyl]sulfanylpent-2-enoate
CAS Name: (Z)-3-[[2-[(E)-5-methoxy-5-oxopent-2-en-3-yl]oxyphenyl]thio]-2-pentenoic acid methyl ester
IUPAC NAME: methyl (Z)-3-[2-[(E)-5-methoxy-5-oxopent-2-en-3-yl]oxyphenyl]sulfanylpent-2-enoate
SYSTEMATIC NAME: methyl (Z)-3-[2-[(E)-5-methoxy-5-oxidanylidene-pent-2-en-3-yl]oxyphenyl]sulfanylpent-2-enoate
MOLECULAR FORMULA: C18H22O5S
MOLECULAR WEIGHT: 350.42928
SMILES: CC/C(=C/C(=O)OC)/SC1=CC=CC=C1O/C(=C/C)/CC(=O)OC
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Product OPENEYE NAME: methyl (Z)-3-[2-[(Z)-1-ethyl-3-methoxy-3-oxo-prop-1-enyl]sulfanylphenoxy]pent-2-enoate
CAS Name: (Z)-3-[2-[[(Z)-1-methoxy-1-oxopent-2-en-3-yl]thio]phenoxy]-2-pentenoic acid methyl ester
IUPAC NAME: methyl (Z)-3-[2-[(Z)-1-methoxy-1-oxopent-2-en-3-yl]sulfanylphenoxy]pent-2-enoate
SYSTEMATIC NAME: methyl (Z)-3-[2-[(Z)-1-methoxy-1-oxidanylidene-pent-2-en-3-yl]sulfanylphenoxy]pent-2-enoate
MOLECULAR FORMULA: C18H22O5S
MOLECULAR WEIGHT: 350.42928
SMILES: CC/C(=C/C(=O)OC)/OC1=CC=CC=C1S/C(=C\C(=O)OC)/CC
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Product OPENEYE NAME: methyl (Z)-3-[2-[(Z)-1-(2-methoxy-2-oxo-ethyl)prop-1-enoxy]phenoxy]pent-3-enoate
CAS Name: (Z)-3-[2-[(Z)-5-methoxy-5-oxopent-2-en-3-yl]oxyphenoxy]-3-pentenoic acid methyl ester
IUPAC NAME: methyl (Z)-3-[2-[(Z)-5-methoxy-5-oxopent-2-en-3-yl]oxyphenoxy]pent-3-enoate
SYSTEMATIC NAME: methyl (Z)-3-[2-[(Z)-5-methoxy-5-oxidanylidene-pent-2-en-3-yl]oxyphenoxy]pent-3-enoate
MOLECULAR FORMULA: C18H22O6
MOLECULAR WEIGHT: 334.36368
SMILES: C/C=C(\OC1=CC=CC=C1O/C(=C\C)/CC(=O)OC)/CC(=O)OC
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Product OPENEYE NAME: ethyl (2Z)-2-(7-acetylthieno[2,3-b]pyridin-4-ylidene)-2-cyano-acetate
CAS Name: (2Z)-2-(7-acetyl-4-thieno[2,3-b]pyridinylidene)-2-cyanoacetic acid ethyl ester
IUPAC NAME: ethyl (2Z)-2-(7-acetylthieno[2,3-b]pyridin-4-ylidene)-2-cyanoacetate
SYSTEMATIC NAME: ethyl (2Z)-2-cyano-2-(7-ethanoylthieno[2,3-b]pyridin-4-ylidene)ethanoate
MOLECULAR FORMULA: C14H12N2O3S
MOLECULAR WEIGHT: 288.32168
SMILES: CCOC(=O)/C(=C\1/C=CN(C2=C1C=CS2)C(=O)C)/C#N
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Product OPENEYE NAME: 2-isothiocyanatoethanol
CAS Name: 2-isothiocyanatoethanol
IUPAC NAME: 2-isothiocyanatoethanol
SYSTEMATIC NAME: 2-isothiocyanatoethanol
MOLECULAR FORMULA: C3H5NOS
MOLECULAR WEIGHT: 103.1429
SMILES: C(CO)N=C=S
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Product OPENEYE NAME: 2-isothiocyanatobutan-1-ol
CAS Name: 2-isothiocyanato-1-butanol
IUPAC NAME: 2-isothiocyanatobutan-1-ol
SYSTEMATIC NAME: 2-isothiocyanatobutan-1-ol
MOLECULAR FORMULA: C5H9NOS
MOLECULAR WEIGHT: 131.19606
SMILES: CCC(CO)N=C=S
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Product OPENEYE NAME: 3-benzyl-1-(thiatriazol-5-yl)-1-(2,4,6-trinitrophenyl)urea
CAS Name: 3-(phenylmethyl)-1-(5-thiatriazolyl)-1-(2,4,6-trinitrophenyl)urea
IUPAC NAME: 3-benzyl-1-(thiatriazol-5-yl)-1-(2,4,6-trinitrophenyl)urea
SYSTEMATIC NAME: 3-(phenylmethyl)-1-(1,2,3,4-thiatriazol-5-yl)-1-(2,4,6-trinitrophenyl)urea
MOLECULAR FORMULA: C15H10N8O7S
MOLECULAR WEIGHT: 446.3543
SMILES: C1=CC=C(C=C1)CNC(=O)N(C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C3=NN=NS3
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Product OPENEYE NAME: N,2-dibenzyl-3-oxo-4-(2,4,6-trinitrophenyl)-1$l^{4}-thia-2,4,6,7,8-pentazabicyclo[3.3.0]octa-1(5),7-diene-6-carboxamide
CAS Name: 3-oxo-N,2-bis(phenylmethyl)-4-(2,4,6-trinitrophenyl)-1$l^{4}-thia-2,4,6,7,8-pentazabicyclo[3.3.0]octa-1(5),7-diene-6-carboxamide
IUPAC NAME: N,2-dibenzyl-3-oxo-4-(2,4,6-trinitrophenyl)-1$l^{4}-thia-2,4,6,7,8-pentazabicyclo[3.3.0]octa-1(5),7-diene-6-carboxamide
SYSTEMATIC NAME: 3-oxidanylidene-N,2-bis(phenylmethyl)-4-(2,4,6-trinitrophenyl)-1$l^{4}-thia-2,4,6,7,8-pentazabicyclo[3.3.0]octa-1(5),7-diene-6-carboxamide
MOLECULAR FORMULA: C23H17N9O8S
MOLECULAR WEIGHT: 579.50158
SMILES: C1=CC=C(C=C1)CNC(=O)N2C3=S(N=N2)N(C(=O)N3C4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])CC5=CC=CC=C5
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Product OPENEYE NAME: 2-benzyl-5-(2,4,6-trinitroanilino)-1,2,4-thiadiazol-3-one
CAS Name: 2-(phenylmethyl)-5-(2,4,6-trinitroanilino)-1,2,4-thiadiazol-3-one
IUPAC NAME: 2-benzyl-5-(2,4,6-trinitroanilino)-1,2,4-thiadiazol-3-one
SYSTEMATIC NAME: 2-(phenylmethyl)-5-[(2,4,6-trinitrophenyl)amino]-1,2,4-thiadiazol-3-one
MOLECULAR FORMULA: C15H10N6O7S
MOLECULAR WEIGHT: 418.3409
SMILES: C1=CC=C(C=C1)CN2C(=O)N=C(S2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 3-ethyl-1-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)-1-phenyl-urea
CAS Name: 3-ethyl-1-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)-1-phenylurea
IUPAC NAME: 3-ethyl-1-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)-1-phenylurea
SYSTEMATIC NAME: 3-ethyl-1-(2-methyl-3-oxidanylidene-1,2,4-thiadiazol-5-yl)-1-phenyl-urea
MOLECULAR FORMULA: C12H14N4O2S
MOLECULAR WEIGHT: 278.33016
SMILES: CCNC(=O)N(C1=CC=CC=C1)C2=NC(=O)N(S2)C
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