Product OPENEYE NAME: N,N-diallylprop-2-en-1-amine
CAS Name: N,N-bis(prop-2-enyl)-2-propen-1-amine
IUPAC NAME: N,N-bis(prop-2-enyl)prop-2-en-1-amine
SYSTEMATIC NAME: N,N-bis(prop-2-enyl)prop-2-en-1-amine
MOLECULAR FORMULA: C9H15N
MOLECULAR WEIGHT: 137.2221
SMILES: C=CCN(CC=C)CC=C
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Product OPENEYE NAME: 2-[bis(2-hydroxyethyl)amino]ethanol
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol
IUPAC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol
MOLECULAR FORMULA: C6H15NO3
MOLECULAR WEIGHT: 149.1882
SMILES: C(CO)N(CCO)CCO
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Product OPENEYE NAME: 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine
CAS Name: 4-(1,3-benzothiazol-2-ylthio)morpholine
IUPAC NAME: 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine
SYSTEMATIC NAME: 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine
MOLECULAR FORMULA: C11H12N2OS2
MOLECULAR WEIGHT: 252.35578
SMILES: C1COCCN1SC2=NC3=CC=CC=C3S2
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Product OPENEYE NAME: 2-[butyl(2-hydroxyethyl)amino]ethanol
CAS Name: 2-[butyl(2-hydroxyethyl)amino]ethanol
IUPAC NAME: 2-[butyl(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: 2-[butyl(2-hydroxyethyl)amino]ethanol
MOLECULAR FORMULA: C8H19NO2
MOLECULAR WEIGHT: 161.24196
SMILES: CCCCN(CCO)CCO
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Product OPENEYE NAME: 2-(dibutylamino)ethanol
CAS Name: 2-(dibutylamino)ethanol
IUPAC NAME: 2-(dibutylamino)ethanol
SYSTEMATIC NAME: 2-(dibutylamino)ethanol
MOLECULAR FORMULA: C10H23NO
MOLECULAR WEIGHT: 173.29572
SMILES: CCCCN(CCCC)CCO
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Product OPENEYE NAME: N,N-dibutylbutan-1-amine
CAS Name: N,N-dibutyl-1-butanamine
IUPAC NAME: N,N-dibutylbutan-1-amine
SYSTEMATIC NAME: N,N-dibutylbutan-1-amine
MOLECULAR FORMULA: C12H27N
MOLECULAR WEIGHT: 185.34948
SMILES: CCCCN(CCCC)CCCC
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Product OPENEYE NAME: tributyl phosphite
CAS Name: phosphorous acid tributyl ester
IUPAC NAME: tributyl phosphite
SYSTEMATIC NAME: tributyl phosphite
MOLECULAR FORMULA: C12H27O3P
MOLECULAR WEIGHT: 250.314741
SMILES: CCCCOP(OCCCC)OCCCC
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Product OPENEYE NAME: N,N-didodecyldodecan-1-amine
CAS Name: N,N-didodecyl-1-dodecanamine
IUPAC NAME: N,N-didodecyldodecan-1-amine
SYSTEMATIC NAME: N,N-didodecyldodecan-1-amine
MOLECULAR FORMULA: C36H75N
MOLECULAR WEIGHT: 521.9874
SMILES: CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
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Product OPENEYE NAME: 3-phenylpropanamide
CAS Name: 3-phenylpropanamide
IUPAC NAME: 3-phenylpropanamide
SYSTEMATIC NAME: 3-phenylpropanamide
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: C1=CC=C(C=C1)CCC(=O)N
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Product OPENEYE NAME: 2-nitrovinylbenzene
CAS Name: 2-nitroethenylbenzene
IUPAC NAME: 2-nitroethenylbenzene
SYSTEMATIC NAME: 2-nitroethenylbenzene
MOLECULAR FORMULA: C8H7NO2
MOLECULAR WEIGHT: 149.14668
SMILES: C1=CC=C(C=C1)C=C[N+](=O)[O-]
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Product OPENEYE NAME: dihydrogen borate; phenylmercury(1+)
CAS Name: dihydrogen borate; phenylmercury(1+)
IUPAC NAME: dihydrogen borate; phenylmercury(1+)
SYSTEMATIC NAME: dihydrogen borate; phenylmercury(1+)
MOLECULAR FORMULA: C6H7BHgO3
MOLECULAR WEIGHT: 338.51898
SMILES: B(O)(O)[O-].C1=CC=C(C=C1)[Hg+]
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Product OPENEYE NAME: boric acid
CAS Name: boric acid
IUPAC NAME: boric acid
SYSTEMATIC NAME: boric acid
MOLECULAR FORMULA: BH3O3
MOLECULAR WEIGHT: 61.83302
SMILES: B(O)(O)O
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Product OPENEYE NAME: phenylmercury(1+)
CAS Name: phenylmercury(1+)
IUPAC NAME: phenylmercury(1+)
SYSTEMATIC NAME: phenylmercury(1+)
MOLECULAR FORMULA: C6H5Hg+
MOLECULAR WEIGHT: phenylmercury(1+)
SMILES: C1=CC=C(C=C1)[Hg+]
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Product OPENEYE NAME: 1-(cyclohexylamino)propan-2-ol
CAS Name: 1-(cyclohexylamino)-2-propanol
IUPAC NAME: 1-(cyclohexylamino)propan-2-ol
SYSTEMATIC NAME: 1-(cyclohexylamino)propan-2-ol
MOLECULAR FORMULA: C9H19NO
MOLECULAR WEIGHT: 157.25326
SMILES: CC(CNC1CCCCC1)O
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Product OPENEYE NAME: 2-phenylethanethioic S-acid
CAS Name: 2-phenylethanethioic S-acid
IUPAC NAME: 2-phenylethanethioic S-acid
SYSTEMATIC NAME: 2-phenylethanethioic S-acid
MOLECULAR FORMULA: C8H8OS
MOLECULAR WEIGHT: 152.21352
SMILES: C1=CC=C(C=C1)CC(=O)S
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Product OPENEYE NAME: 2-methyl-4-phenyl-butan-2-ol
CAS Name: 2-methyl-4-phenyl-2-butanol
IUPAC NAME: 2-methyl-4-phenylbutan-2-ol
SYSTEMATIC NAME: 2-methyl-4-phenyl-butan-2-ol
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CC(C)(CCC1=CC=CC=C1)O
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Product OPENEYE NAME: (1,1-dimethyl-3-phenyl-propyl) acetate
CAS Name: acetic acid (2-methyl-4-phenylbutan-2-yl) ester
IUPAC NAME: (2-methyl-4-phenylbutan-2-yl) acetate
SYSTEMATIC NAME: (2-methyl-4-phenyl-butan-2-yl) ethanoate
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: CC(=O)OC(C)(C)CCC1=CC=CC=C1
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Product OPENEYE NAME: 5-ethylnonan-2-ol
CAS Name: 5-ethyl-2-nonanol
IUPAC NAME: 5-ethylnonan-2-ol
SYSTEMATIC NAME: 5-ethylnonan-2-ol
MOLECULAR FORMULA: C11H24O
MOLECULAR WEIGHT: 172.30766
SMILES: CCCCC(CC)CCC(C)O
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Product OPENEYE NAME: 2-ethylhexyl acetate
CAS Name: acetic acid 2-ethylhexyl ester
IUPAC NAME: 2-ethylhexyl acetate
SYSTEMATIC NAME: 2-ethylhexyl ethanoate
MOLECULAR FORMULA: C10H20O2
MOLECULAR WEIGHT: 172.2646
SMILES: CCCCC(CC)COC(=O)C
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Product OPENEYE NAME: 2-ethylhexyl prop-2-enoate
CAS Name: 2-propenoic acid 2-ethylhexyl ester
IUPAC NAME: 2-ethylhexyl prop-2-enoate
SYSTEMATIC NAME: 2-ethylhexyl prop-2-enoate
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CCCCC(CC)COC(=O)C=C
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Product OPENEYE NAME: 4-(benzylamino)phenol
CAS Name: 4-[(phenylmethyl)amino]phenol
IUPAC NAME: 4-(benzylamino)phenol
SYSTEMATIC NAME: 4-[(phenylmethyl)amino]phenol
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: C1=CC=C(C=C1)CNC2=CC=C(C=C2)O
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Product OPENEYE NAME: 4-benzyloxyphenol
CAS Name: 4-phenylmethoxyphenol
IUPAC NAME: 4-phenylmethoxyphenol
SYSTEMATIC NAME: 4-phenylmethoxyphenol
MOLECULAR FORMULA: C13H12O2
MOLECULAR WEIGHT: 200.23318
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)O
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Product OPENEYE NAME: 1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene
CAS Name: 1-chloro-4-[(4-chlorophenyl)methylthio]benzene
IUPAC NAME: 1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene
SYSTEMATIC NAME: 1-chloranyl-4-[(4-chlorophenyl)methylsulfanyl]benzene
MOLECULAR FORMULA: C13H10Cl2S
MOLECULAR WEIGHT: 269.1895
SMILES: C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)Cl
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Product OPENEYE NAME: bis(2-ethylhexyl) hexanedioate
CAS Name: hexanedioic acid bis(2-ethylhexyl) ester
IUPAC NAME: bis(2-ethylhexyl) hexanedioate
SYSTEMATIC NAME: bis(2-ethylhexyl) hexanedioate
MOLECULAR FORMULA: C22H42O4
MOLECULAR WEIGHT: 370.56648
SMILES: CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
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