CAS RN: 6961-75-7
CAS Name: 4-(2,4-dichlorophenyl)-2-oxo-3-butenoic acid; sodium
OPENEYE Name: 4-(2,4-dichlorophenyl)-2-oxo-but-3-enoic acid; sodium
IUPAC Name: 4-(2,4-dichlorophenyl)-2-oxobut-3-enoic acid; sodium
SYSTEMATIC NAME: 4-(2,4-dichlorophenyl)-2-oxidanylidene-but-3-enoic acid; sodium
MOLECULAR FORMULA: C10H6Cl2NaO3
MOLECULAR WEIGHT: 268.04861
SMILES: C1=CC(=C(C=C1Cl)Cl)C=CC(=O)C(=O)O.[Na]
Structure:
CAS RN: 34387-64-9
CAS Name: triphenyl(2-phenylethynyl)phosphonium bromide
OPENEYE Name: triphenyl(2-phenylethynyl)phosphonium bromide
IUPAC Name: triphenyl(2-phenylethynyl)phosphanium bromide
SYSTEMATIC NAME: triphenyl(2-phenylethynyl)phosphanium bromide
MOLECULAR FORMULA: C26H20BrP
MOLECULAR WEIGHT: 443.314761
SMILES: C1=CC=C(C=C1)C#C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
Structure:
CAS RN: 51591-60-7
CAS Name: 2,3-dihydro-1H-indene-5-sulfonic acid; sodium
OPENEYE Name: indane-5-sulfonic acid; sodium
IUPAC Name: 2,3-dihydro-1H-indene-5-sulfonic acid; sodium
SYSTEMATIC NAME: 2,3-dihydro-1H-indene-5-sulfonic acid; sodium
MOLECULAR FORMULA: C9H10NaO3S
MOLECULAR WEIGHT: 221.22867
SMILES: C1CC2=C(C1)C=C(C=C2)S(=O)(=O)O.[Na]
Structure:
CAS RN: 16899-83-5
CAS Name: 1-(3,4-dihydroxyphenyl)-2-(dimethylamino)ethanone chloride
OPENEYE Name: 1-(3,4-dihydroxyphenyl)-2-(dimethylamino)ethanone chloride
IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(dimethylamino)ethanone chloride
SYSTEMATIC NAME: 1-[3,4-bis(oxidanyl)phenyl]-2-(dimethylamino)ethanone chloride
MOLECULAR FORMULA: C10H13ClNO3-
MOLECULAR WEIGHT: 230.66812
SMILES: CN(C)CC(=O)C1=CC(=C(C=C1)O)O.[Cl-]
Structure:
CAS RN: 6973-00-8
CAS Name: N4-methylpyrimidine-4,6-diamine hydrochloride
OPENEYE Name: N4-methylpyrimidine-4,6-diamine hydrochloride
IUPAC Name: 4-N-methylpyrimidine-4,6-diamine hydrochloride
SYSTEMATIC NAME: N4-methylpyrimidine-4,6-diamine hydrochloride
MOLECULAR FORMULA: C5H9ClN4
MOLECULAR WEIGHT: 160.60476
SMILES: CNC1=NC=NC(=C1)N.Cl
Structure:
CAS RN: 7147-23-1
CAS Name: 2-phenoxathiinesulfonic acid; sodium
OPENEYE Name: phenoxathiine-2-sulfonic acid; sodium
IUPAC Name: phenoxathiine-2-sulfonic acid; sodium
SYSTEMATIC NAME: phenoxathiine-2-sulfonic acid; sodium
MOLECULAR FORMULA: C12H8NaO4S2
MOLECULAR WEIGHT: 303.30929
SMILES: C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)S(=O)(=O)O.[Na]
Structure:
CAS RN: 6972-94-7
CAS Name: N,2-dimethyl-2-(4-nitrophenyl)-1-propanamine; nitric acid
OPENEYE Name: N,2-dimethyl-2-(4-nitrophenyl)propan-1-amine; nitric acid
IUPAC Name: N,2-dimethyl-2-(4-nitrophenyl)propan-1-amine; nitric acid
SYSTEMATIC NAME: N,2-dimethyl-2-(4-nitrophenyl)propan-1-amine; nitric acid
MOLECULAR FORMULA: C11H17N3O5
MOLECULAR WEIGHT: 271.26978
SMILES: CC(C)(CNC)C1=CC=C(C=C1)[N+](=O)[O-].[N+](=O)(O)[O-]
Structure:
CAS RN: 6972-88-9
CAS Name: 1-[2-[2-[2-(1-piperidinyl)ethylthio]ethylthio]ethyl]piperidine chloride
OPENEYE Name: 1-[2-[2-[2-(1-piperidyl)ethylsulfanyl]ethylsulfanyl]ethyl]piperidine chloride
IUPAC Name: 1-[2-[2-(2-piperidin-1-ylethylsulfanyl)ethylsulfanyl]ethyl]piperidine chloride
SYSTEMATIC NAME: 1-[2-[2-(2-piperidin-1-ylethylsulfanyl)ethylsulfanyl]ethyl]piperidine chloride
MOLECULAR FORMULA: C16H32ClN2S2-
MOLECULAR WEIGHT: 352.02168
SMILES: C1CCN(CC1)CCSCCSCCN2CCCCC2.[Cl-]
Structure:
CAS RN: 6972-87-8
CAS Name: 6-[3-(diethylamino)propoxy]-3-quinolinecarboxylic acid ethyl ester chloride
OPENEYE Name: ethyl 6-[3-(diethylamino)propoxy]quinoline-3-carboxylate chloride
IUPAC Name: ethyl 6-[3-(diethylamino)propoxy]quinoline-3-carboxylate chloride
SYSTEMATIC NAME: ethyl 6-[3-(diethylamino)propoxy]quinoline-3-carboxylate chloride
MOLECULAR FORMULA: C19H26ClN2O3-
MOLECULAR WEIGHT: 365.87434
SMILES: CCN(CC)CCCOC1=CC2=CC(=CN=C2C=C1)C(=O)OCC.[Cl-]
Structure:
CAS RN: 16264-84-9
CAS Name: 1-(2-chlorophenyl)-3-(dimethylamino)-1-propanone hydrochloride
OPENEYE Name: 1-(2-chlorophenyl)-3-(dimethylamino)propan-1-one hydrochloride
IUPAC Name: 1-(2-chlorophenyl)-3-(dimethylamino)propan-1-one hydrochloride
SYSTEMATIC NAME: 1-(2-chlorophenyl)-3-(dimethylamino)propan-1-one hydrochloride
MOLECULAR FORMULA: C11H15Cl2NO
MOLECULAR WEIGHT: 248.1489
SMILES: CN(C)CCC(=O)C1=CC=CC=C1Cl.Cl
Structure:
CAS RN: 81882-05-5
CAS Name: ethyl-dimethyl-(thiophen-2-ylmethyl)ammonium; 4-methylbenzenesulfonate
OPENEYE Name: ethyl-dimethyl-(2-thienylmethyl)ammonium; 4-methylbenzenesulfonate
IUPAC Name: ethyl-dimethyl-(thiophen-2-ylmethyl)azanium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: ethyl-dimethyl-(thiophen-2-ylmethyl)azanium; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C16H23NO3S2
MOLECULAR WEIGHT: 341.48872
SMILES: CC[N+](C)(C)CC1=CC=CS1.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 22703-25-9
CAS Name: ethyl-dimethyl-(phenylmethyl)ammonium; 4-methylbenzenesulfonate
OPENEYE Name: benzyl-ethyl-dimethyl-ammonium; 4-methylbenzenesulfonate
IUPAC Name: benzyl-ethyl-dimethylazanium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: ethyl-dimethyl-(phenylmethyl)azanium; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C18H25NO3S
MOLECULAR WEIGHT: 335.461
SMILES: CC[N+](C)(C)CC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 6972-52-7
CAS Name: [5-(aminomethyl)-2,4-dimethylphenyl]methanamine chloride
OPENEYE Name: [5-(aminomethyl)-2,4-dimethyl-phenyl]methanamine chloride
IUPAC Name: [5-(aminomethyl)-2,4-dimethylphenyl]methanamine chloride
SYSTEMATIC NAME: [5-(aminomethyl)-2,4-dimethyl-phenyl]methanamine chloride
MOLECULAR FORMULA: C10H16ClN2-
MOLECULAR WEIGHT: 199.70044
SMILES: CC1=CC(=C(C=C1CN)CN)C.[Cl-]
Structure:
CAS RN: 7152-16-1
CAS Name: 4,4-diethylmorpholin-4-ium chloride
OPENEYE Name: 4,4-diethylmorpholin-4-ium chloride
IUPAC Name: 4,4-diethylmorpholin-4-ium chloride
SYSTEMATIC NAME: 4,4-diethylmorpholin-4-ium chloride
MOLECULAR FORMULA: C8H18ClNO
MOLECULAR WEIGHT: 179.68762
SMILES: CC[N+]1(CCOCC1)CC.[Cl-]
Structure:
CAS RN: 651-95-6
CAS Name: 5-(hydroxymethyl)-2-methyl-4-(trifluoromethyl)-3-pyridinol chloride
OPENEYE Name: 5-(hydroxymethyl)-2-methyl-4-(trifluoromethyl)pyridin-3-ol chloride
IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-(trifluoromethyl)pyridin-3-ol chloride
SYSTEMATIC NAME: 5-(hydroxymethyl)-2-methyl-4-(trifluoromethyl)pyridin-3-ol chloride
MOLECULAR FORMULA: C8H8ClF3NO2-
MOLECULAR WEIGHT: 242.60283
SMILES: CC1=NC=C(C(=C1O)C(F)(F)F)CO.[Cl-]
Structure:
CAS RN: 21826-10-8
CAS Name: azanidacyclopropane; cobalt(2+); N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine
OPENEYE Name: cobaltous; azanidacyclopropane; N-[(Z)-1-methyl-2-nitroso-prop-1-enyl]hydroxylamine
IUPAC Name: azanidacyclopropane; cobalt(2+); N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine
SYSTEMATIC NAME: 1-azanidacyclopropane; cobalt(2+); N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine
MOLECULAR FORMULA: C12H24CoN6O4
MOLECULAR WEIGHT: 375.28996
SMILES: C/C(=C(/N=O)\C)/NO.C/C(=C(/N=O)\C)/NO.C1[N-]C1.C1[N-]C1.[Co+2]
Structure:
CAS RN: 7148-99-4
CAS Name: 5-tert-butyl-2-thiophenesulfonic acid; sodium
OPENEYE Name: 5-tert-butylthiophene-2-sulfonic acid; sodium
IUPAC Name: 5-tert-butylthiophene-2-sulfonic acid; sodium
SYSTEMATIC NAME: 5-tert-butylthiophene-2-sulfonic acid; sodium
MOLECULAR FORMULA: C8H12NaO3S2
MOLECULAR WEIGHT: 243.29885
SMILES: CC(C)(C)C1=CC=C(S1)S(=O)(=O)O.[Na]
Structure:
CAS RN: 52047-56-0
CAS Name: [4-[2-(diethylamino)ethoxy]phenyl]-phenylmethanone chloride
OPENEYE Name: [4-[2-(diethylamino)ethoxy]phenyl]-phenyl-methanone chloride
IUPAC Name: [4-[2-(diethylamino)ethoxy]phenyl]-phenylmethanone chloride
SYSTEMATIC NAME: [4-[2-(diethylamino)ethoxy]phenyl]-phenyl-methanone chloride
MOLECULAR FORMULA: C19H23ClNO2-
MOLECULAR WEIGHT: 332.84442
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(=O)C2=CC=CC=C2.[Cl-]
Structure:
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