Product OPENEYE NAME: 2-[5-(1,3-benzoxazol-2-yl)-2-thienyl]-1,3-benzoxazole
CAS Name: 2-[5-(1,3-benzoxazol-2-yl)-2-thiophenyl]-1,3-benzoxazole
IUPAC NAME: 2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
SYSTEMATIC NAME: 2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
MOLECULAR FORMULA: C18H10N2O2S
MOLECULAR WEIGHT: 318.3492
SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC=C(S3)C4=NC5=CC=CC=C5O4
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Product OPENEYE NAME: 5-isopropyl-2-methyl-bicyclo[3.1.0]hex-2-ene
CAS Name: 2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene
IUPAC NAME: 2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene
SYSTEMATIC NAME: 2-methyl-5-propan-2-yl-bicyclo[3.1.0]hex-2-ene
MOLECULAR FORMULA: C10H16
MOLECULAR WEIGHT: 136.23404
SMILES: CC1=CCC2(C1C2)C(C)C
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Product OPENEYE NAME: 2-(dimethylamino)ethyl 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid 2-(dimethylamino)ethyl ester
IUPAC NAME: 2-(dimethylamino)ethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-(dimethylamino)ethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: CC(=C)C(=O)OCCN(C)C
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Product OPENEYE NAME: 6-methylbenzo[b][1,4]benzoxazepine
CAS Name: 6-methylbenzo[b][1,4]benzoxazepine
IUPAC NAME: 6-methylbenzo[b][1,4]benzoxazepine
SYSTEMATIC NAME: 6-methylbenzo[b][1,4]benzoxazepine
MOLECULAR FORMULA: C14H11NO
MOLECULAR WEIGHT: 209.24324
SMILES: CC1=NC2=CC=CC=C2OC3=CC=CC=C13
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Product OPENEYE NAME: disodium 4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthyl)azo]-3-methoxy-phenyl]-2-methoxy-phenyl]azo-naphthalene-1-sulfonate
CAS Name: disodium 4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthalenyl)azo]-3-methoxyphenyl]-2-methoxyphenyl]azo-1-naphthalenesulfonate
IUPAC NAME: disodium 4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-1-sulfonate
SYSTEMATIC NAME: disodium 4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfonato-naphthalen-2-yl)diazenyl]-3-methoxy-phenyl]-2-methoxy-phenyl]diazenyl]naphthalene-1-sulfonate
MOLECULAR FORMULA: C34H26N6Na2O8S2
MOLECULAR WEIGHT: 756.71518
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])N)OC)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N.[Na+].[Na+]
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Product OPENEYE NAME: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthyl)azo]-3-methoxy-phenyl]-2-methoxy-phenyl]azo-naphthalene-1-sulfonic acid
CAS Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthalenyl)azo]-3-methoxyphenyl]-2-methoxyphenyl]azo-1-naphthalenesulfonic acid
IUPAC NAME: 4-amino-3-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid
SYSTEMATIC NAME: 4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]-3-methoxy-phenyl]-2-methoxy-phenyl]diazenyl]naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C34H28N6O8S2
MOLECULAR WEIGHT: 712.75152
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)O)N)OC)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C25H16
MOLECULAR WEIGHT: 316.39454
SMILES: CC1=CC2=C(C=C1)C3=CC4=CC=CC=C4C5=C3C6=C(C=CC=C26)C=C5
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MOLECULAR FORMULA: C25H16
MOLECULAR WEIGHT: 316.39454
SMILES: CC1=CC2=C(C=C1)C3=CC=CC4=C3C5=C(C=C4)C6=CC=CC=C6C=C25
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MOLECULAR FORMULA: C25H14O
MOLECULAR WEIGHT: 330.37806
SMILES: C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=C4)C=C6C=CC=C(C6=C25)C=O
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MOLECULAR FORMULA: C25H16
MOLECULAR WEIGHT: 316.39454
SMILES: CC1=CC=CC2=CC3=C4C5=C(C=CC=C5C6=CC=CC=C6C4=C12)C=C3
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Product OPENEYE NAME: 2-ethyl-1,3-dimethyl-benzene
CAS Name: 2-ethyl-1,3-dimethylbenzene
IUPAC NAME: 2-ethyl-1,3-dimethylbenzene
SYSTEMATIC NAME: 2-ethyl-1,3-dimethyl-benzene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: CCC1=C(C=CC=C1C)C
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Product OPENEYE NAME: ethanol; 6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine
CAS Name: ethanol; 6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine
IUPAC NAME: ethanol; 6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine
SYSTEMATIC NAME: ethanol; 6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine
MOLECULAR FORMULA: C21H26N3O+
MOLECULAR WEIGHT: 336.45064
SMILES: CCO.C1CCC=[N+](CC1)C2=NC3=CC=CC=C3C4=CC=CC=C4N2
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Product OPENEYE NAME: 6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine
CAS Name: 6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine
IUPAC NAME: 6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine
SYSTEMATIC NAME: 6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine
MOLECULAR FORMULA: C19H20N3+
MOLECULAR WEIGHT: 290.3822
SMILES: C1CCC=[N+](CC1)C2=NC3=CC=CC=C3C4=CC=CC=C4N2
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Product OPENEYE NAME: disodium 5-(4-ethoxyphenyl)azo-2-[2-[4-(4-ethoxyphenyl)azo-2-sulfonato-phenyl]vinyl]benzenesulfonate
CAS Name: disodium 5-(4-ethoxyphenyl)azo-2-[2-[4-(4-ethoxyphenyl)azo-2-sulfonatophenyl]ethenyl]benzenesulfonate
IUPAC NAME: disodium 5-[(4-ethoxyphenyl)diazenyl]-2-[2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-ethoxyphenyl)diazenyl]-2-[2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C30H26N4Na2O8S2
MOLECULAR WEIGHT: 680.65898
SMILES: CCOC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)OCC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
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