Product OPENEYE NAME: [(E)-2-(1,3-benzothiazol-2-yl)vinyl] (Z)-3-methoxy-2-methyl-prop-2-enoate
CAS Name: (Z)-3-methoxy-2-methyl-2-propenoic acid [(E)-2-(1,3-benzothiazol-2-yl)ethenyl] ester
IUPAC NAME: [(E)-2-(1,3-benzothiazol-2-yl)ethenyl] (Z)-3-methoxy-2-methylprop-2-enoate
SYSTEMATIC NAME: [(E)-2-(1,3-benzothiazol-2-yl)ethenyl] (Z)-3-methoxy-2-methyl-prop-2-enoate
MOLECULAR FORMULA: C14H13NO3S
MOLECULAR WEIGHT: 275.32292
SMILES: C/C(=C/OC)/C(=O)O/C=C/C1=NC2=CC=CC=C2S1
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Product OPENEYE NAME: [2-methoxy-4-[(E)-2-(4-quinolyl)vinyl]phenyl] 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid [2-methoxy-4-[(E)-2-(4-quinolinyl)ethenyl]phenyl] ester
IUPAC NAME: [2-methoxy-4-[(E)-2-quinolin-4-ylethenyl]phenyl] 2-methylprop-2-enoate
SYSTEMATIC NAME: [2-methoxy-4-[(E)-2-quinolin-4-ylethenyl]phenyl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C22H19NO3
MOLECULAR WEIGHT: 345.39116
SMILES: CC(=C)C(=O)OC1=C(C=C(C=C1)/C=C/C2=CC=NC3=CC=CC=C23)OC
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Product OPENEYE NAME: 1,4-dimethylpyridin-1-ium; hydrogen sulfate; toluene
CAS Name: 1,4-dimethylpyridin-1-ium; hydrogen sulfate; toluene
IUPAC NAME: 1,4-dimethylpyridin-1-ium; hydrogen sulfate; toluene
SYSTEMATIC NAME: 1,4-dimethylpyridin-1-ium; hydrogen sulfate; methylbenzene
MOLECULAR FORMULA: C14H19NO4S
MOLECULAR WEIGHT: 297.36996
SMILES: CC1=CC=CC=C1.CC1=CC=[N+](C=C1)C.OS(=O)(=O)[O-]
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Product OPENEYE NAME: [3-(4-formyl-2-methoxy-phenoxy)-2-hydroxy-propyl] 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid [3-(4-formyl-2-methoxyphenoxy)-2-hydroxypropyl] ester
IUPAC NAME: [3-(4-formyl-2-methoxyphenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate
SYSTEMATIC NAME: [3-(4-methanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C15H18O6
MOLECULAR WEIGHT: 294.29982
SMILES: CC(=C)C(=O)OCC(COC1=C(C=C(C=C1)C=O)OC)O
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Product OPENEYE NAME: 1,2-dimethylpyridin-1-ium; hydrogen sulfate; toluene
CAS Name: 1,2-dimethylpyridin-1-ium; hydrogen sulfate; toluene
IUPAC NAME: 1,2-dimethylpyridin-1-ium; hydrogen sulfate; toluene
SYSTEMATIC NAME: 1,2-dimethylpyridin-1-ium; hydrogen sulfate; methylbenzene
MOLECULAR FORMULA: C14H19NO4S
MOLECULAR WEIGHT: 297.36996
SMILES: CC1=CC=CC=C1.CC1=CC=CC=[N+]1C.OS(=O)(=O)[O-]
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Product OPENEYE NAME: 1',3',3'-trimethylspiro[chromene-2,2'-indoline]-6'-ol
CAS Name: 1',3',3'-trimethyl-6'-spiro[1-benzopyran-2,2'-indole]ol
IUPAC NAME: 1',3',3'-trimethylspiro[chromene-2,2'-indole]-6'-ol
SYSTEMATIC NAME: 1',3',3'-trimethylspiro[chromene-2,2'-indole]-6'-ol
MOLECULAR FORMULA: C19H19NO2
MOLECULAR WEIGHT: 293.35966
SMILES: CC1(C2=C(C=C(C=C2)O)N(C13C=CC4=CC=CC=C4O3)C)C
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Product OPENEYE NAME: hexadecyl 3-chlorocarbonylbenzoate
CAS Name: 3-carbonochloridoylbenzoic acid hexadecyl ester
IUPAC NAME: hexadecyl 3-carbonochloridoylbenzoate
SYSTEMATIC NAME: hexadecyl 3-carbonochloridoylbenzoate
MOLECULAR FORMULA: C24H37ClO3
MOLECULAR WEIGHT: 409.00178
SMILES: CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)Cl
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Product OPENEYE NAME: 2-(aziridin-1-yl)-2-hydroxy-acetic acid
CAS Name: 2-(1-aziridinyl)-2-hydroxyacetic acid
IUPAC NAME: 2-(aziridin-1-yl)-2-hydroxyacetic acid
SYSTEMATIC NAME: 2-(aziridin-1-yl)-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C4H7NO3
MOLECULAR WEIGHT: 117.10328
SMILES: C1CN1C(C(=O)O)O
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Product OPENEYE NAME: disodium 1,4-diethoxy-1,4-dioxo-butane-2,2-disulfonate
CAS Name: disodium 1,4-diethoxy-1,4-dioxobutane-2,2-disulfonate
IUPAC NAME: disodium 1,4-diethoxy-1,4-dioxobutane-2,2-disulfonate
SYSTEMATIC NAME: disodium 1,4-diethoxy-1,4-bis(oxidanylidene)butane-2,2-disulfonate
MOLECULAR FORMULA: C8H12Na2O10S2
MOLECULAR WEIGHT: 378.28442
SMILES: CCOC(=O)CC(C(=O)OCC)(S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: 1,4-diethoxy-1,4-dioxo-butane-2,2-disulfonic acid
CAS Name: 1,4-diethoxy-1,4-dioxobutane-2,2-disulfonic acid
IUPAC NAME: 1,4-diethoxy-1,4-dioxobutane-2,2-disulfonic acid
SYSTEMATIC NAME: 1,4-diethoxy-1,4-bis(oxidanylidene)butane-2,2-disulfonic acid
MOLECULAR FORMULA: C8H14O10S2
MOLECULAR WEIGHT: 334.32076
SMILES: CCOC(=O)CC(C(=O)OCC)(S(=O)(=O)O)S(=O)(=O)O
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Product OPENEYE NAME: 1-cyclohexyl-4,5-dimethyl-1,5-dihydrotetrazol-1-ium chloride
CAS Name: 1-cyclohexyl-4,5-dimethyl-1,5-dihydrotetrazol-1-ium chloride
IUPAC NAME: 1-cyclohexyl-4,5-dimethyl-1,5-dihydrotetrazol-1-ium chloride
SYSTEMATIC NAME: 1-cyclohexyl-4,5-dimethyl-1,5-dihydro-1,2,3,4-tetrazol-1-ium chloride
MOLECULAR FORMULA: C9H19ClN4
MOLECULAR WEIGHT: 218.72696
SMILES: CC1[NH+](N=NN1C)C2CCCCC2.[Cl-]
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Product OPENEYE NAME: 1-cyclohexyl-4,5-dimethyl-5H-tetrazole
CAS Name: 1-cyclohexyl-4,5-dimethyl-5H-tetrazole
IUPAC NAME: 1-cyclohexyl-4,5-dimethyl-5H-tetrazole
SYSTEMATIC NAME: 1-cyclohexyl-4,5-dimethyl-5H-1,2,3,4-tetrazole
MOLECULAR FORMULA: C9H18N4
MOLECULAR WEIGHT: 182.26602
SMILES: CC1N(N=NN1C2CCCCC2)C
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Product OPENEYE NAME: 5-hexyl-1,3-diphenyl-1,2-dihydrotetrazol-1-ium bromide
CAS Name: 5-hexyl-1,3-diphenyl-1,2-dihydrotetrazol-1-ium bromide
IUPAC NAME: 5-hexyl-1,3-diphenyl-1,2-dihydrotetrazol-1-ium bromide
SYSTEMATIC NAME: 5-hexyl-1,3-diphenyl-1,2-dihydro-1,2,3,4-tetrazol-1-ium bromide
MOLECULAR FORMULA: C19H25BrN4
MOLECULAR WEIGHT: 389.3326
SMILES: CCCCCCC1=NN(N[NH+]1C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
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Product OPENEYE NAME: 5-hexyl-1,3-diphenyl-2H-tetrazole
CAS Name: 5-hexyl-1,3-diphenyl-2H-tetrazole
IUPAC NAME: 5-hexyl-1,3-diphenyl-2H-tetrazole
SYSTEMATIC NAME: 5-hexyl-1,3-diphenyl-2H-1,2,3,4-tetrazole
MOLECULAR FORMULA: C19H24N4
MOLECULAR WEIGHT: 308.42066
SMILES: CCCCCCC1=NN(NN1C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-[4-[4-[(1,4-dimethyl-1,5-dihydrotetrazol-1-ium-5-yl)azo]anilino]phenyl]acetamide chloride
CAS Name: N-[4-[4-[(1,4-dimethyl-1,5-dihydrotetrazol-1-ium-5-yl)azo]anilino]phenyl]acetamide chloride
IUPAC NAME: N-[4-[4-[(1,4-dimethyl-1,5-dihydrotetrazol-1-ium-5-yl)diazenyl]anilino]phenyl]acetamide chloride
SYSTEMATIC NAME: N-[4-[[4-[(1,4-dimethyl-1,5-dihydro-1,2,3,4-tetrazol-1-ium-5-yl)diazenyl]phenyl]amino]phenyl]ethanamide chloride
MOLECULAR FORMULA: C17H21ClN8O
MOLECULAR WEIGHT: 388.85464
SMILES: CC(=O)NC1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3[NH+](N=NN3C)C.[Cl-]
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Product OPENEYE NAME: N-[4-[4-[(1,4-dimethyl-5H-tetrazol-5-yl)azo]anilino]phenyl]acetamide
CAS Name: N-[4-[4-[(1,4-dimethyl-5H-tetrazol-5-yl)azo]anilino]phenyl]acetamide
IUPAC NAME: N-[4-[4-[(1,4-dimethyl-5H-tetrazol-5-yl)diazenyl]anilino]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[[4-[(1,4-dimethyl-5H-1,2,3,4-tetrazol-5-yl)diazenyl]phenyl]amino]phenyl]ethanamide
MOLECULAR FORMULA: C17H20N8O
MOLECULAR WEIGHT: 352.3937
SMILES: CC(=O)NC1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3N(N=NN3C)C
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Product OPENEYE NAME: 4-(5-methyl-1-phenyl-1,2-dihydrotetrazol-1-ium-3-yl)phenol chloride
CAS Name: 4-(5-methyl-1-phenyl-1,2-dihydrotetrazol-1-ium-3-yl)phenol chloride
IUPAC NAME: 4-(5-methyl-1-phenyl-1,2-dihydrotetrazol-1-ium-3-yl)phenol chloride
SYSTEMATIC NAME: 4-(5-methyl-1-phenyl-1,2-dihydro-1,2,3,4-tetrazol-1-ium-3-yl)phenol chloride
MOLECULAR FORMULA: C14H15ClN4O
MOLECULAR WEIGHT: 290.7481
SMILES: CC1=NN(N[NH+]1C2=CC=CC=C2)C3=CC=C(C=C3)O.[Cl-]
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Product OPENEYE NAME: 4-(5-methyl-1-phenyl-2H-tetrazol-3-yl)phenol
CAS Name: 4-(5-methyl-1-phenyl-2H-tetrazol-3-yl)phenol
IUPAC NAME: 4-(5-methyl-1-phenyl-2H-tetrazol-3-yl)phenol
SYSTEMATIC NAME: 4-(5-methyl-1-phenyl-2H-1,2,3,4-tetrazol-3-yl)phenol
MOLECULAR FORMULA: C14H14N4O
MOLECULAR WEIGHT: 254.28716
SMILES: CC1=NN(NN1C2=CC=CC=C2)C3=CC=C(C=C3)O
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Product OPENEYE NAME: 1-(4-bromophenyl)-4,5-dimethyl-1,5-dihydrotetrazol-1-ium chloride
CAS Name: 1-(4-bromophenyl)-4,5-dimethyl-1,5-dihydrotetrazol-1-ium chloride
IUPAC NAME: 1-(4-bromophenyl)-4,5-dimethyl-1,5-dihydrotetrazol-1-ium chloride
SYSTEMATIC NAME: 1-(4-bromophenyl)-4,5-dimethyl-1,5-dihydro-1,2,3,4-tetrazol-1-ium chloride
MOLECULAR FORMULA: C9H12BrClN4
MOLECULAR WEIGHT: 291.57538
SMILES: CC1[NH+](N=NN1C)C2=CC=C(C=C2)Br.[Cl-]
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Product OPENEYE NAME: 1-(4-bromophenyl)-4,5-dimethyl-5H-tetrazole
CAS Name: 1-(4-bromophenyl)-4,5-dimethyl-5H-tetrazole
IUPAC NAME: 1-(4-bromophenyl)-4,5-dimethyl-5H-tetrazole
SYSTEMATIC NAME: 1-(4-bromophenyl)-4,5-dimethyl-5H-1,2,3,4-tetrazole
MOLECULAR FORMULA: C9H11BrN4
MOLECULAR WEIGHT: 255.11444
SMILES: CC1N(N=NN1C2=CC=C(C=C2)Br)C
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Product OPENEYE NAME: 1,5-diphenyl-3-(4-phenylphenyl)-2H-tetrazol-2-ium chloride
CAS Name: 1,5-diphenyl-3-(4-phenylphenyl)-2H-tetrazol-2-ium chloride
IUPAC NAME: 1,5-diphenyl-3-(4-phenylphenyl)-2H-tetrazol-2-ium chloride
SYSTEMATIC NAME: 1,5-diphenyl-3-(4-phenylphenyl)-2H-1,2,3,4-tetrazol-2-ium chloride
MOLECULAR FORMULA: C25H21ClN4
MOLECULAR WEIGHT: 412.91404
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)N3[NH2+]N(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]
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Product OPENEYE NAME: 1,5-diphenyl-3-(4-phenylphenyl)-2H-tetrazole
CAS Name: 1,5-diphenyl-3-(4-phenylphenyl)-2H-tetrazole
IUPAC NAME: 1,5-diphenyl-3-(4-phenylphenyl)-2H-tetrazole
SYSTEMATIC NAME: 1,5-diphenyl-3-(4-phenylphenyl)-2H-1,2,3,4-tetrazole
MOLECULAR FORMULA: C25H20N4
MOLECULAR WEIGHT: 376.4531
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)N3NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 1-(3-chlorophenyl)-4,5-dimethyl-1,5-dihydrotetrazol-1-ium chloride
CAS Name: 1-(3-chlorophenyl)-4,5-dimethyl-1,5-dihydrotetrazol-1-ium chloride
IUPAC NAME: 1-(3-chlorophenyl)-4,5-dimethyl-1,5-dihydrotetrazol-1-ium chloride
SYSTEMATIC NAME: 1-(3-chlorophenyl)-4,5-dimethyl-1,5-dihydro-1,2,3,4-tetrazol-1-ium chloride
MOLECULAR FORMULA: C9H12Cl2N4
MOLECULAR WEIGHT: 247.12438
SMILES: CC1[NH+](N=NN1C)C2=CC(=CC=C2)Cl.[Cl-]
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