Product OPENEYE NAME: 1,4-dihydroxy-5,8-bis(2-hydroxyethylamino)anthracene-9,10-dione
CAS Name: 1,4-dihydroxy-5,8-bis(2-hydroxyethylamino)anthracene-9,10-dione
IUPAC NAME: 1,4-dihydroxy-5,8-bis(2-hydroxyethylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1,4-bis(2-hydroxyethylamino)-5,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C18H18N2O6
MOLECULAR WEIGHT: 358.34532
SMILES: C1=CC(=C2C(=C1NCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCO
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Product OPENEYE NAME: 2-butylphenol
CAS Name: 2-butylphenol
IUPAC NAME: 2-butylphenol
SYSTEMATIC NAME: 2-butylphenol
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CCCCC1=CC=CC=C1O
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Product OPENEYE NAME: 2-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-anilino]ethanol
CAS Name: 2-[4-(2-chloro-4-nitrophenyl)azo-N-ethylanilino]ethanol
IUPAC NAME: 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol
SYSTEMATIC NAME: 2-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethanol
MOLECULAR FORMULA: C16H17ClN4O3
MOLECULAR WEIGHT: 348.78418
SMILES: CCN(CCO)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
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Product OPENEYE NAME: 1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CAS Name: 1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC NAME: 1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-[3,5-bis(chloranyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C11H13Cl2N5
MOLECULAR WEIGHT: 286.16042
SMILES: CC1(N=C(N=C(N1C2=CC(=CC(=C2)Cl)Cl)N)N)C
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Product OPENEYE NAME: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride
CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride
IUPAC NAME: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride
SYSTEMATIC NAME: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride
MOLECULAR FORMULA: C16H18ClNO4
MOLECULAR WEIGHT: 323.77142
SMILES: C1C[NH2+]C(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O.[Cl-]
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Product OPENEYE NAME: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
IUPAC NAME: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
SYSTEMATIC NAME: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
MOLECULAR FORMULA: C16H17NO4
MOLECULAR WEIGHT: 287.31048
SMILES: C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O
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Product OPENEYE NAME: 2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide
CAS Name: 2-chloro-5-[(2,2-dimethylhydrazinyl)-oxomethyl]benzenesulfonamide
IUPAC NAME: 2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide
SYSTEMATIC NAME: 2-chloranyl-5-(dimethylaminocarbamoyl)benzenesulfonamide
MOLECULAR FORMULA: C9H12ClN3O3S
MOLECULAR WEIGHT: 277.72788
SMILES: CN(C)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N
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Product OPENEYE NAME: 1-methyl-4-methylsulfonyl-benzene
CAS Name: 1-methyl-4-methylsulfonylbenzene
IUPAC NAME: 1-methyl-4-methylsulfonylbenzene
SYSTEMATIC NAME: 1-methyl-4-methylsulfonyl-benzene
MOLECULAR FORMULA: C8H10O2S
MOLECULAR WEIGHT: 170.2288
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C
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Product OPENEYE NAME: 2-methyltetrahydrofuran-3-one
CAS Name: 2-methyl-3-oxolanone
IUPAC NAME: 2-methyloxolan-3-one
SYSTEMATIC NAME: 2-methyloxolan-3-one
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: CC1C(=O)CCO1
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Product OPENEYE NAME: chloromethoxyethane
CAS Name: chloromethoxyethane
IUPAC NAME: chloromethoxyethane
SYSTEMATIC NAME: chloromethyloxyethane
MOLECULAR FORMULA: C3H7ClO
MOLECULAR WEIGHT: 94.54008
SMILES: CCOCCl
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Product OPENEYE NAME: 4-(3-isoindolin-2-ylpropyl)morpholine
CAS Name: 4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine
IUPAC NAME: 4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine
SYSTEMATIC NAME: 4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine
MOLECULAR FORMULA: C15H22N2O
MOLECULAR WEIGHT: 246.34798
SMILES: C1COCCN1CCCN2CC3=CC=CC=C3C2
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Product OPENEYE NAME: 4-methyl-4-[3-(2-methylisoindolin-2-ium-2-yl)propyl]morpholin-4-ium diiodide
CAS Name: 4-methyl-4-[3-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propyl]morpholin-4-ium diiodide
IUPAC NAME: 4-methyl-4-[3-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propyl]morpholin-4-ium diiodide
SYSTEMATIC NAME: 4-methyl-4-[3-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propyl]morpholin-4-ium diiodide
MOLECULAR FORMULA: C17H28I2N2O
MOLECULAR WEIGHT: 530.22596
SMILES: C[N+]1(CCOCC1)CCC[N+]2(CC3=CC=CC=C3C2)C.[I-].[I-]
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Product OPENEYE NAME: 4-methyl-4-[3-(2-methylisoindolin-2-ium-2-yl)propyl]morpholin-4-ium
CAS Name: 4-methyl-4-[3-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propyl]morpholin-4-ium
IUPAC NAME: 4-methyl-4-[3-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propyl]morpholin-4-ium
SYSTEMATIC NAME: 4-methyl-4-[3-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propyl]morpholin-4-ium
MOLECULAR FORMULA: C17H28N2O+2
MOLECULAR WEIGHT: 276.41702
SMILES: C[N+]1(CCOCC1)CCC[N+]2(CC3=CC=CC=C3C2)C
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Product OPENEYE NAME: 1,2,5,6,9,10-hexabromocyclododecane
CAS Name: 1,2,5,6,9,10-hexabromocyclododecane
IUPAC NAME: 1,2,5,6,9,10-hexabromocyclododecane
SYSTEMATIC NAME: 1,2,5,6,9,10-hexakis(bromanyl)cyclododecane
MOLECULAR FORMULA: C12H18Br6
MOLECULAR WEIGHT: 641.69532
SMILES: C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br
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Product OPENEYE NAME: N-methyl-N-vinyl-acetamide
CAS Name: N-ethenyl-N-methylacetamide
IUPAC NAME: N-ethenyl-N-methylacetamide
SYSTEMATIC NAME: N-ethenyl-N-methyl-ethanamide
MOLECULAR FORMULA: C5H9NO
MOLECULAR WEIGHT: 99.13106
SMILES: CC(=O)N(C)C=C
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Product OPENEYE NAME: N-ethyl-N-vinyl-acetamide
CAS Name: N-ethenyl-N-ethylacetamide
IUPAC NAME: N-ethenyl-N-ethylacetamide
SYSTEMATIC NAME: N-ethenyl-N-ethyl-ethanamide
MOLECULAR FORMULA: C6H11NO
MOLECULAR WEIGHT: 113.15764
SMILES: CCN(C=C)C(=O)C
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C19H20ClN
MOLECULAR WEIGHT: 297.8218
SMILES: CC1=[N+](C2CCC1(C3=CC=CC=C23)C4=CC=CC=C4)C.[Cl-]
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MOLECULAR FORMULA: C19H20N+
MOLECULAR WEIGHT: 262.3688
SMILES: CC1=[N+](C2CCC1(C3=CC=CC=C23)C4=CC=CC=C4)C
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