CAS RN: 27503-82-8
CAS Name: 2-phenyl-3H-benzimidazole-5-sulfonyl chloride
OPENEYE Name: 2-phenyl-3H-benzimidazole-5-sulfonyl chloride
IUPAC Name: 2-phenyl-3H-benzimidazole-5-sulfonyl chloride
SYSTEMATIC NAME: 2-phenyl-3H-benzimidazole-5-sulfonyl chloride
MOLECULAR FORMULA: C13H9ClN2O2S
MOLECULAR WEIGHT: 292.74076
SMILES: C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)Cl
Structure:
CAS RN: 122751-64-8
CAS Name: 3-hydroxytricosanoic acid
OPENEYE Name: 3-hydroxytricosanoic acid
IUPAC Name: 3-hydroxytricosanoic acid
SYSTEMATIC NAME: 3-oxidanyltricosanoic acid
MOLECULAR FORMULA: C23H46O3
MOLECULAR WEIGHT: 370.60954
SMILES: CCCCCCCCCCCCCCCCCCCCC(CC(=O)O)O
Structure:
CAS RN: 110931-04-9
CAS Name: 3-hydroxyheneicosanoic acid
OPENEYE Name: 3-hydroxyhenicosanoic acid
IUPAC Name: 3-hydroxyhenicosanoic acid
SYSTEMATIC NAME: 3-oxidanylhenicosanoic acid
MOLECULAR FORMULA: C21H42O3
MOLECULAR WEIGHT: 342.55638
SMILES: CCCCCCCCCCCCCCCCCCC(CC(=O)O)O
Structure:
CAS RN: 54001-11-5
CAS Name: 4-methyl-2-(2-methylphenyl)-5-thiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-methyl-2-(o-tolyl)thiazole-5-carboxylate
IUPAC Name: ethyl 4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C14H15NO2S
MOLECULAR WEIGHT: 261.3394
SMILES: CCOC(=O)C1=C(N=C(S1)C2=CC=CC=C2C)C
Structure:
CAS RN: 1006453-74-2
CAS Name: 3-methyl-1-(2-methylpropyl)-4-pyrazolesulfonyl chloride
OPENEYE Name: 1-isobutyl-3-methyl-pyrazole-4-sulfonyl chloride
IUPAC Name: 3-methyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
SYSTEMATIC NAME: 3-methyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
MOLECULAR FORMULA: C8H13ClN2O2S
MOLECULAR WEIGHT: 236.71902
SMILES: CC1=NN(C=C1S(=O)(=O)Cl)CC(C)C
Structure:
CAS RN: 173273-39-7
CAS Name: 3-(4-morpholinyl)-1-phenyl-1-propanamine
OPENEYE Name: 3-morpholino-1-phenyl-propan-1-amine
IUPAC Name: 3-morpholin-4-yl-1-phenylpropan-1-amine
SYSTEMATIC NAME: 3-morpholin-4-yl-1-phenyl-propan-1-amine
MOLECULAR FORMULA: C13H20N2O
MOLECULAR WEIGHT: 220.3107
SMILES: C1COCCN1CCC(C2=CC=CC=C2)N
Structure:
CAS RN: 947179-47-7
CAS Name: 1-(2,2,2-trifluoroethyl)-3-pyrazolamine
OPENEYE Name: 1-(2,2,2-trifluoroethyl)pyrazol-3-amine
IUPAC Name: 1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SYSTEMATIC NAME: 1-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-amine
MOLECULAR FORMULA: C5H6F3N3
MOLECULAR WEIGHT: 165.11645
SMILES: C1=CN(N=C1N)CC(F)(F)F
Structure:
CAS RN: 936940-12-4
CAS Name: 1-(1,3,5-trimethyl-4-pyrazolyl)ethanamine
OPENEYE Name: 1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
IUPAC Name: 1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SYSTEMATIC NAME: 1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
MOLECULAR FORMULA: C8H15N3
MOLECULAR WEIGHT: 153.2248
SMILES: CC1=C(C(=NN1C)C)C(C)N
Structure:
CAS RN: 1006348-71-5
CAS Name: 2-[3-(trifluoromethyl)-1-pyrazolyl]acetonitrile
OPENEYE Name: 2-[3-(trifluoromethyl)pyrazol-1-yl]acetonitrile
IUPAC Name: 2-[3-(trifluoromethyl)pyrazol-1-yl]acetonitrile
SYSTEMATIC NAME: 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanenitrile
MOLECULAR FORMULA: C6H4F3N3
MOLECULAR WEIGHT: 175.11127
SMILES: C1=CN(N=C1C(F)(F)F)CC#N
Structure:
CAS RN: 15827-10-8
CAS Name: zinc 2,2-dimethylpropanoate
OPENEYE Name: zinc 2,2-dimethylpropanoate
IUPAC Name: zinc 2,2-dimethylpropanoate
SYSTEMATIC NAME: zinc 2,2-dimethylpropanoate
MOLECULAR FORMULA: C10H18O4Zn
MOLECULAR WEIGHT: 267.65652
SMILES: CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Zn+2]
Structure:
CAS RN: 114480-39-6
CAS Name: diammonium 2-butyloctanedioate
OPENEYE Name: diammonium 2-butyloctanedioate
IUPAC Name: diazanium 2-butyloctanedioate
SYSTEMATIC NAME: diazanium 2-butyloctanedioate
MOLECULAR FORMULA: C12H28N2O4
MOLECULAR WEIGHT: 264.36172
SMILES: CCCCC(CCCCCC(=O)[O-])C(=O)[O-].[NH4+].[NH4+]
Structure:
CAS RN: 22018-43-5
CAS Name: 2-phenylmethoxyethanimidamide hydrochloride
OPENEYE Name: 2-benzyloxyacetamidine hydrochloride
IUPAC Name: 2-phenylmethoxyethanimidamide hydrochloride
SYSTEMATIC NAME: 2-phenylmethoxyethanimidamide hydrochloride
MOLECULAR FORMULA: C9H13ClN2O
MOLECULAR WEIGHT: 200.66532
SMILES: C1=CC=C(C=C1)COCC(=N)N.Cl
Structure:
CAS RN: 149861-96-1
CAS Name: 6,6a,7,11b-tetrahydro-5H-benzo[g]fluorene-3,9,10-triol
OPENEYE Name: 6,6a,7,11b-tetrahydro-5H-benzo[g]fluorene-3,9,10-triol
IUPAC Name: 6,6a,7,11b-tetrahydro-5H-benzo[g]fluorene-3,9,10-triol
SYSTEMATIC NAME: 6,6a,7,11b-tetrahydro-5H-benzo[g]fluorene-3,9,10-triol
MOLECULAR FORMULA: C17H16O3
MOLECULAR WEIGHT: 268.30714
SMILES: C1CC2=C(C=CC(=C2)O)C3C1CC4=CC(=C(C=C34)O)O
Structure:
CAS RN: 93858-72-1
CAS Name: benzene-1,2,4-tricarboxylic acid tris(14-methylpentadecyl) ester
OPENEYE Name: tris(14-methylpentadecyl) benzene-1,2,4-tricarboxylate
IUPAC Name: tris(14-methylpentadecyl) benzene-1,2,4-tricarboxylate
SYSTEMATIC NAME: tris(14-methylpentadecyl) benzene-1,2,4-tricarboxylate
MOLECULAR FORMULA: C57H102O6
MOLECULAR WEIGHT: 883.41618
SMILES: CC(C)CCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCCCCCC(C)C
Structure:
CAS RN: 113825-16-4
CAS Name: 5-methyl-1H-imidazole-2-carboxaldehyde
OPENEYE Name: 5-methyl-1H-imidazole-2-carbaldehyde
IUPAC Name: 5-methyl-1H-imidazole-2-carbaldehyde
SYSTEMATIC NAME: 5-methyl-1H-imidazole-2-carbaldehyde
MOLECULAR FORMULA: C5H6N2O
MOLECULAR WEIGHT: 110.11394
SMILES: CC1=CN=C(N1)C=O
Structure:
CAS RN: 95533-25-8
CAS Name: 2-(1-methyl-4-piperidinyl)acetic acid methyl ester
OPENEYE Name: methyl 2-(1-methyl-4-piperidyl)acetate
IUPAC Name: methyl 2-(1-methylpiperidin-4-yl)acetate
SYSTEMATIC NAME: methyl 2-(1-methylpiperidin-4-yl)ethanoate
MOLECULAR FORMULA: C9H17NO2
MOLECULAR WEIGHT: 171.23678
SMILES: CN1CCC(CC1)CC(=O)OC
Structure:
CAS RN: 15125-87-8
CAS Name: 2-hydroxy-5-iodobenzoic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-hydroxy-5-iodo-benzoate
IUPAC Name: propan-2-yl 2-hydroxy-5-iodobenzoate
SYSTEMATIC NAME: propan-2-yl 5-iodanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C10H11IO3
MOLECULAR WEIGHT: 306.09701
SMILES: CC(C)OC(=O)C1=C(C=CC(=C1)I)O
Structure:
CAS RN: 15206-70-9
CAS Name: 2-hydroxy-5-iodobenzoic acid 2-methylpropyl ester
OPENEYE Name: isobutyl 2-hydroxy-5-iodo-benzoate
IUPAC Name: 2-methylpropyl 2-hydroxy-5-iodobenzoate
SYSTEMATIC NAME: 2-methylpropyl 5-iodanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C11H13IO3
MOLECULAR WEIGHT: 320.12359
SMILES: CC(C)COC(=O)C1=C(C=CC(=C1)I)O
Structure:
CAS RN: 85252-24-0
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; propane-1,2-diol
OPENEYE Name: citric acid; propane-1,2-diol
IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; propane-1,2-diol
SYSTEMATIC NAME: 2-oxidanylpropane-1,2,3-tricarboxylic acid; propane-1,2-diol
MOLECULAR FORMULA: C9H16O9
MOLECULAR WEIGHT: 268.21794
SMILES: CC(CO)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 128133-59-5
CAS Name: 1-ethynyl-3-phenylmethoxybenzene
OPENEYE Name: 1-benzyloxy-3-ethynyl-benzene
IUPAC Name: 1-ethynyl-3-phenylmethoxybenzene
SYSTEMATIC NAME: 1-ethynyl-3-phenylmethoxy-benzene
MOLECULAR FORMULA: C15H12O
MOLECULAR WEIGHT: 208.25518
SMILES: C#CC1=CC(=CC=C1)OCC2=CC=CC=C2
Structure:
CAS RN: 699119-05-6
CAS Name: 1-bromo-4-iodo-2,5-dimethylbenzene
OPENEYE Name: 1-bromo-4-iodo-2,5-dimethyl-benzene
IUPAC Name: 1-bromo-4-iodo-2,5-dimethylbenzene
SYSTEMATIC NAME: 1-bromanyl-4-iodanyl-2,5-dimethyl-benzene
MOLECULAR FORMULA: C8H8BrI
MOLECULAR WEIGHT: 310.95759
SMILES: CC1=CC(=C(C=C1I)C)Br
Structure:
CAS RN: 25371-93-1
CAS Name: 1-(2-methylphenyl)imidazole
OPENEYE Name: 1-(o-tolyl)imidazole
IUPAC Name: 1-(2-methylphenyl)imidazole
SYSTEMATIC NAME: 1-(2-methylphenyl)imidazole
MOLECULAR FORMULA: C10H10N2
MOLECULAR WEIGHT: 158.1998
SMILES: CC1=CC=CC=C1N2C=CN=C2
Structure:
CAS RN: 64415-08-3
CAS Name: (2-methoxy-5-nitrophenyl)methyl-dimethylsulfonium bromide
OPENEYE Name: (2-methoxy-5-nitro-phenyl)methyl-dimethyl-sulfonium bromide
IUPAC Name: (2-methoxy-5-nitrophenyl)methyl-dimethylsulfanium bromide
SYSTEMATIC NAME: (2-methoxy-5-nitro-phenyl)methyl-dimethyl-sulfanium bromide
MOLECULAR FORMULA: C10H14BrNO3S
MOLECULAR WEIGHT: 308.19206
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C[S+](C)C.[Br-]
Structure:
CAS RN: 2113-07-7
CAS Name: 6,6-dimethyl-1-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine hydrochloride
OPENEYE Name: 6,6-dimethyl-1-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine hydrochloride
IUPAC Name: 6,6-dimethyl-1-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine hydrochloride
SYSTEMATIC NAME: 6,6-dimethyl-1-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine hydrochloride
MOLECULAR FORMULA: C14H22ClN5
MOLECULAR WEIGHT: 295.81098
SMILES: CC1(N=C(N=C(N1CCCC2=CC=CC=C2)N)N)C.Cl
Structure:
CAS RN: 162997-21-9
CAS Name: 1-(4-cyanophenyl)-4-piperidinecarboxylic acid
OPENEYE Name: 1-(4-cyanophenyl)piperidine-4-carboxylic acid
IUPAC Name: 1-(4-cyanophenyl)piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-(4-cyanophenyl)piperidine-4-carboxylic acid
MOLECULAR FORMULA: C13H14N2O2
MOLECULAR WEIGHT: 230.26246
SMILES: C1CN(CCC1C(=O)O)C2=CC=C(C=C2)C#N
Structure:
CAS RN: 53404-93-6
CAS Name: zinc 5-chloro-3H-1,3-benzothiazole-2-thione
OPENEYE Name: zinc 5-chloro-3H-1,3-benzothiazole-2-thione
IUPAC Name: zinc 5-chloro-3H-1,3-benzothiazole-2-thione
SYSTEMATIC NAME: zinc 5-chloranyl-3H-1,3-benzothiazole-2-thione
MOLECULAR FORMULA: C7H4ClNS2Zn+2
MOLECULAR WEIGHT: 267.10536
SMILES: C1=CC2=C(C=C1Cl)NC(=S)S2.[Zn+2]
Structure:
CAS RN: 7685-73-6
CAS Name: 5-amino-2-[[(2-nitrophenyl)thio]amino]-5-oxopentanoic acid
OPENEYE Name: 5-amino-2-[(2-nitrophenyl)sulfanylamino]-5-oxo-pentanoic acid
IUPAC Name: 5-amino-2-[(2-nitrophenyl)sulfanylamino]-5-oxopentanoic acid
SYSTEMATIC NAME: 5-azanyl-2-[(2-nitrophenyl)sulfanylamino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C11H13N3O5S
MOLECULAR WEIGHT: 299.30302
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SNC(CCC(=O)N)C(=O)O
Structure:
CAS RN: 18368-96-2
CAS Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid (4-prop-2-enylphenyl)methyl ester
OPENEYE Name: (4-allylphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
IUPAC Name: (4-prop-2-enylphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: (4-prop-2-enylphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C20H26O2
MOLECULAR WEIGHT: 298.41924
SMILES: CC(=CC1C(C1(C)C)C(=O)OCC2=CC=C(C=C2)CC=C)C
Structure:
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