CAS RN: 94135-26-9
CAS Name: hydrogen sulfate; 3-pyridin-1-iumcarboxylic acid 2-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]ethyl ester
OPENEYE Name: 2-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxyethyl pyridin-1-ium-3-carboxylate; hydrogen sulfate
IUPAC Name: 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl pyridin-1-ium-3-carboxylate; hydrogen sulfate
SYSTEMATIC NAME: 2-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxyethyl pyridin-1-ium-3-carboxylate; hydrogen sulfate
MOLECULAR FORMULA: C18H20ClNO9S
MOLECULAR WEIGHT: 461.8707
SMILES: CC(C)(C(=O)OCCOC(=O)C1=C[NH+]=CC=C1)OC2=CC=C(C=C2)Cl.OS(=O)(=O)[O-]
Structure:
CAS RN: 94134-92-6
CAS Name: N-[[1-(1-cyclohexenylmethyl)-2-pyrrolidinyl]methyl]-7-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxin-5-carboxamide
OPENEYE Name: N-[[1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methyl]-7-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
IUPAC Name: N-[[1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methyl]-7-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SYSTEMATIC NAME: N-[[1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methyl]-7-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
MOLECULAR FORMULA: C22H31N3O5S
MOLECULAR WEIGHT: 449.56364
SMILES: CNS(=O)(=O)C1=CC2=C(C(=C1)C(=O)NCC3CCCN3CC4=CCCCC4)OCCO2
Structure:
CAS RN: 94134-91-5
CAS Name: N-(2,5-dichloropentyl)-7-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxin-5-carboxamide
OPENEYE Name: N-(2,5-dichloropentyl)-7-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
IUPAC Name: N-(2,5-dichloropentyl)-7-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SYSTEMATIC NAME: N-[2,5-bis(chloranyl)pentyl]-7-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
MOLECULAR FORMULA: C15H20Cl2N2O5S
MOLECULAR WEIGHT: 411.3007
SMILES: CNS(=O)(=O)C1=CC2=C(C(=C1)C(=O)NCC(CCCCl)Cl)OCCO2
Structure:
CAS RN: 94134-90-4
CAS Name: N-(2,5-dichloropentyl)-8-(methylsulfamoyl)-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide
OPENEYE Name: N-(2,5-dichloropentyl)-8-(methylsulfamoyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
IUPAC Name: N-(2,5-dichloropentyl)-8-(methylsulfamoyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
SYSTEMATIC NAME: N-[2,5-bis(chloranyl)pentyl]-8-(methylsulfamoyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
MOLECULAR FORMULA: C16H22Cl2N2O5S
MOLECULAR WEIGHT: 425.32728
SMILES: CNS(=O)(=O)C1=CC2=C(C(=C1)C(=O)NCC(CCCCl)Cl)OCCCO2
Structure:
CAS RN: 94134-88-0
CAS Name: propanoic acid (2-methyl-6-methyleneoct-7-en-2-yl) ester
OPENEYE Name: (1,1-dimethyl-5-methylene-hept-6-enyl) propanoate
IUPAC Name: (2-methyl-6-methylideneoct-7-en-2-yl) propanoate
SYSTEMATIC NAME: (2-methyl-6-methylidene-oct-7-en-2-yl) propanoate
MOLECULAR FORMULA: C13H22O2
MOLECULAR WEIGHT: 210.31258
SMILES: CCC(=O)OC(C)(C)CCCC(=C)C=C
Structure:
CAS RN: 94134-77-7
CAS Name: 2-phenylacetic acid [(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-yl] ester
OPENEYE Name: [(E)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)allyl] 2-phenylacetate
IUPAC Name: [(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] 2-phenylacetate
SYSTEMATIC NAME: [(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] 2-phenylethanoate
MOLECULAR FORMULA: C21H28O2
MOLECULAR WEIGHT: 312.44582
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(C)OC(=O)CC2=CC=CC=C2
Structure:
CAS RN: 94134-49-3
CAS Name: 2-hydroxyhexyl dihydrogen phosphate
OPENEYE Name: 2-hydroxyhexyl dihydrogen phosphate
IUPAC Name: 2-hydroxyhexyl dihydrogen phosphate
SYSTEMATIC NAME: 2-oxidanylhexyl dihydrogen phosphate
MOLECULAR FORMULA: C6H15O5P
MOLECULAR WEIGHT: 198.154061
SMILES: CCCCC(COP(=O)(O)O)O
Structure:
CAS RN: 94134-41-5
CAS Name: 2-hydroxypropanoic acid [1-[(2-methyl-4-oxo-3-pyranyl)oxy]-1-oxopropan-2-yl] ester
OPENEYE Name: [1-methyl-2-(2-methyl-4-oxo-pyran-3-yl)oxy-2-oxo-ethyl] 2-hydroxypropanoate
IUPAC Name: [1-(2-methyl-4-oxopyran-3-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
SYSTEMATIC NAME: [1-(2-methyl-4-oxidanylidene-pyran-3-yl)oxy-1-oxidanylidene-propan-2-yl] 2-oxidanylpropanoate
MOLECULAR FORMULA: C12H14O7
MOLECULAR WEIGHT: 270.23536
SMILES: CC1=C(C(=O)C=CO1)OC(=O)C(C)OC(=O)C(C)O
Structure:
CAS RN: 94134-35-7
CAS Name: 3-[(2-chlorophenyl)methyl]-4,5-dimethylthiazol-3-ium chloride
OPENEYE Name: 3-[(2-chlorophenyl)methyl]-4,5-dimethyl-thiazol-3-ium chloride
IUPAC Name: 3-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazol-3-ium chloride
SYSTEMATIC NAME: 3-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazol-3-ium chloride
MOLECULAR FORMULA: C12H13Cl2NS
MOLECULAR WEIGHT: 274.20932
SMILES: CC1=C(SC=[N+]1CC2=CC=CC=C2Cl)C.[Cl-]
Structure:
CAS RN: 94134-23-3
CAS Name: 2,4-bis(prop-2-enoxy)-6-tetradecoxy-1,3,5-triazine
OPENEYE Name: 2,4-diallyloxy-6-tetradecoxy-1,3,5-triazine
IUPAC Name: 2,4-bis(prop-2-enoxy)-6-tetradecoxy-1,3,5-triazine
SYSTEMATIC NAME: 2,4-bis(prop-2-enoxy)-6-tetradecoxy-1,3,5-triazine
MOLECULAR FORMULA: C23H39N3O3
MOLECULAR WEIGHT: 405.57406
SMILES: CCCCCCCCCCCCCCOC1=NC(=NC(=N1)OCC=C)OCC=C
Structure:
CAS RN: 94133-88-7
CAS Name: 4-[(1,2-dimethyl-5-phenyl-3-pyrazol-2-iumyl)azo]-N,N-diethyl-3-methylaniline acetate
OPENEYE Name: 4-(1,2-dimethyl-5-phenyl-pyrazol-2-ium-3-yl)azo-N,N-diethyl-3-methyl-aniline acetate
IUPAC Name: 4-[(1,2-dimethyl-5-phenylpyrazol-2-ium-3-yl)diazenyl]-N,N-diethyl-3-methylaniline acetate
SYSTEMATIC NAME: 4-[(1,2-dimethyl-5-phenyl-pyrazol-2-ium-3-yl)diazenyl]-N,N-diethyl-3-methyl-aniline ethanoate
MOLECULAR FORMULA: C24H31N5O2
MOLECULAR WEIGHT: 421.53524
SMILES: CCN(CC)C1=CC(=C(C=C1)N=NC2=[N+](N(C(=C2)C3=CC=CC=C3)C)C)C.CC(=O)[O-]
Structure:
CAS RN: 94113-78-7
CAS Name: bis(2-ethoxyethyl) hydrogen phosphate
OPENEYE Name: bis(2-ethoxyethyl) hydrogen phosphate
IUPAC Name: bis(2-ethoxyethyl) hydrogen phosphate
SYSTEMATIC NAME: bis(2-ethoxyethyl) hydrogen phosphate
MOLECULAR FORMULA: C8H19O6P
MOLECULAR WEIGHT: 242.206621
SMILES: CCOCCOP(=O)(O)OCCOCC
Structure:
CAS RN: 94113-72-1
CAS Name: 2-[3-(2-aminoethyl)-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
OPENEYE Name: 2-[3-(2-aminoethyl)-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
IUPAC Name: 2-[3-(2-aminoethyl)-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
SYSTEMATIC NAME: 2-[3-(2-azanylethyl)-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
MOLECULAR FORMULA: C18H38ClN3O
MOLECULAR WEIGHT: 347.96682
SMILES: CCCCCCCCCCCC1=[N+](CCN1CCO)CCN.[Cl-]
Structure:
CAS RN: 94113-71-0
CAS Name: 2-[3-(2-aminoethyl)-2-heneicosyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
OPENEYE Name: 2-[3-(2-aminoethyl)-2-henicosyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
IUPAC Name: 2-[3-(2-aminoethyl)-2-henicosyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
SYSTEMATIC NAME: 2-[3-(2-azanylethyl)-2-henicosyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
MOLECULAR FORMULA: C28H58ClN3O
MOLECULAR WEIGHT: 488.23262
SMILES: CCCCCCCCCCCCCCCCCCCCCC1=[N+](CCN1CCO)CCN.[Cl-]
Structure:
CAS RN: 94109-85-0
CAS Name: N,N-diethyl-3-methoxy-4-[(6-methoxy-2-methyl-3-pyridazin-2-iumyl)azo]aniline chloride
OPENEYE Name: N,N-diethyl-3-methoxy-4-(6-methoxy-2-methyl-pyridazin-2-ium-3-yl)azo-aniline chloride
IUPAC Name: N,N-diethyl-3-methoxy-4-[(6-methoxy-2-methylpyridazin-2-ium-3-yl)diazenyl]aniline chloride
SYSTEMATIC NAME: N,N-diethyl-3-methoxy-4-[(6-methoxy-2-methyl-pyridazin-2-ium-3-yl)diazenyl]aniline chloride
MOLECULAR FORMULA: C17H24ClN5O2
MOLECULAR WEIGHT: 365.85776
SMILES: CCN(CC)C1=CC(=C(C=C1)N=NC2=[N+](N=C(C=C2)OC)C)OC.[Cl-]
Structure:
CAS RN: 94109-76-9
CAS Name: ethanethioic acid S-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester
OPENEYE Name: S-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] ethanethioate
IUPAC Name: S-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ethanethioate
SYSTEMATIC NAME: S-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] ethanethioate
MOLECULAR FORMULA: C13H14N2O3S2
MOLECULAR WEIGHT: 310.39186
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC(=O)C
Structure:
CAS RN: 94109-16-7
CAS Name: diethyl-[2-(1-oxoprop-2-enoxy)ethyl]ammonium; hydrogen sulfate
OPENEYE Name: diethyl(2-prop-2-enoyloxyethyl)ammonium; hydrogen sulfate
IUPAC Name: diethyl(2-prop-2-enoyloxyethyl)azanium; hydrogen sulfate
SYSTEMATIC NAME: diethyl(2-prop-2-enoyloxyethyl)azanium; hydrogen sulfate
MOLECULAR FORMULA: C9H19NO6S
MOLECULAR WEIGHT: 269.31526
SMILES: CC[NH+](CC)CCOC(=O)C=C.OS(=O)(=O)[O-]
Structure:
CAS RN: 94108-57-3
CAS Name: 2-(4-tert-butyl-2-methylphenyl)acetaldehyde
OPENEYE Name: 2-(4-tert-butyl-2-methyl-phenyl)acetaldehyde
IUPAC Name: 2-(4-tert-butyl-2-methylphenyl)acetaldehyde
SYSTEMATIC NAME: 2-(4-tert-butyl-2-methyl-phenyl)ethanal
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: CC1=C(C=CC(=C1)C(C)(C)C)CC=O
Structure:
CAS RN: 94108-34-6
CAS Name: 2-methylpropanoic acid 5-methylhexan-3-yl ester
OPENEYE Name: (1-ethyl-3-methyl-butyl) 2-methylpropanoate
IUPAC Name: 5-methylhexan-3-yl 2-methylpropanoate
SYSTEMATIC NAME: 5-methylhexan-3-yl 2-methylpropanoate
MOLECULAR FORMULA: C11H22O2
MOLECULAR WEIGHT: 186.29118
SMILES: CCC(CC(C)C)OC(=O)C(C)C
Structure:
CAS RN: 94108-28-8
CAS Name: (Z)-9-octadecenoic acid 1-(2-hydroxypropoxy)propan-2-yl ester
OPENEYE Name: [2-(2-hydroxypropoxy)-1-methyl-ethyl] (Z)-octadec-9-enoate
IUPAC Name: 1-(2-hydroxypropoxy)propan-2-yl (Z)-octadec-9-enoate
SYSTEMATIC NAME: 1-(2-oxidanylpropoxy)propan-2-yl (Z)-octadec-9-enoate
MOLECULAR FORMULA: C24H46O4
MOLECULAR WEIGHT: 398.61964
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC(C)COCC(C)O
Structure:
CAS RN: 94108-26-6
CAS Name: dodecanoic acid 1-(2-hydroxypropoxy)propan-2-yl ester
OPENEYE Name: [2-(2-hydroxypropoxy)-1-methyl-ethyl] dodecanoate
IUPAC Name: 1-(2-hydroxypropoxy)propan-2-yl dodecanoate
SYSTEMATIC NAME: 1-(2-oxidanylpropoxy)propan-2-yl dodecanoate
MOLECULAR FORMULA: C18H36O4
MOLECULAR WEIGHT: 316.47604
SMILES: CCCCCCCCCCCC(=O)OC(C)COCC(C)O
Structure:
CAS RN: 94107-60-5
CAS Name: 6-nitro-1,4-dihydro-3,1-benzoxazin-2-one
OPENEYE Name: 6-nitro-1,4-dihydro-3,1-benzoxazin-2-one
IUPAC Name: 6-nitro-1,4-dihydro-3,1-benzoxazin-2-one
SYSTEMATIC NAME: 6-nitro-1,4-dihydro-3,1-benzoxazin-2-one
MOLECULAR FORMULA: C8H6N2O4
MOLECULAR WEIGHT: 194.14424
SMILES: C1C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)O1
Structure:
CAS RN: 94088-66-1
CAS Name: 6,8-diiodo-4-oxo-1-benzopyran-2-carboxylic acid
OPENEYE Name: 6,8-diiodo-4-oxo-chromene-2-carboxylic acid
IUPAC Name: 6,8-diiodo-4-oxochromene-2-carboxylic acid
SYSTEMATIC NAME: 6,8-bis(iodanyl)-4-oxidanylidene-chromene-2-carboxylic acid
MOLECULAR FORMULA: C10H4I2O4
MOLECULAR WEIGHT: 441.9453
SMILES: C1=C(C=C2C(=O)C=C(OC2=C1I)C(=O)O)I
Structure:
CAS RN: 94088-59-2
CAS Name: 1-decyl-3-(phenylmethyl)-4,5-dihydroimidazol-3-ium chloride
OPENEYE Name: 1-benzyl-3-decyl-4,5-dihydroimidazol-1-ium chloride
IUPAC Name: 1-benzyl-3-decyl-4,5-dihydroimidazol-1-ium chloride
SYSTEMATIC NAME: 1-decyl-3-(phenylmethyl)-4,5-dihydroimidazol-3-ium chloride
MOLECULAR FORMULA: C20H33ClN2
MOLECULAR WEIGHT: 336.94242
SMILES: CCCCCCCCCCN1CC[N+](=C1)CC2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 94087-87-3
CAS Name: N-(1,2-benzothiazol-3-yloxymethyl)-N-ethylethanamine
OPENEYE Name: N-(1,2-benzothiazol-3-yloxymethyl)-N-ethyl-ethanamine
IUPAC Name: N-(1,2-benzothiazol-3-yloxymethyl)-N-ethylethanamine
SYSTEMATIC NAME: N-(1,2-benzothiazol-3-yloxymethyl)-N-ethyl-ethanamine
MOLECULAR FORMULA: C12H16N2OS
MOLECULAR WEIGHT: 236.33324
SMILES: CCN(CC)COC1=NSC2=CC=CC=C21
Structure:
CAS RN: 94087-78-2
CAS Name: 2-[2-(1,2-benzothiazol-3-yloxy)ethylamino]ethanol
OPENEYE Name: 2-[2-(1,2-benzothiazol-3-yloxy)ethylamino]ethanol
IUPAC Name: 2-[2-(1,2-benzothiazol-3-yloxy)ethylamino]ethanol
SYSTEMATIC NAME: 2-[2-(1,2-benzothiazol-3-yloxy)ethylamino]ethanol
MOLECULAR FORMULA: C11H14N2O2S
MOLECULAR WEIGHT: 238.30606
SMILES: C1=CC=C2C(=C1)C(=NS2)OCCNCCO
Structure:
CAS RN: 94087-37-3
CAS Name: thiocyanic acid 4-triethoxysilylbutan-2-yl ester
OPENEYE Name: (1-methyl-3-triethoxysilyl-propyl) thiocyanate
IUPAC Name: 4-triethoxysilylbutan-2-yl thiocyanate
SYSTEMATIC NAME: 4-triethoxysilylbutan-2-yl thiocyanate
MOLECULAR FORMULA: C11H23NO3SSi
MOLECULAR WEIGHT: 277.45572
SMILES: CCO[Si](CCC(C)SC#N)(OCC)OCC
Structure:
CAS RN: 94087-35-1
CAS Name: 3-[2-(1-pyrrolidinyl)ethoxy]-1,2-benzothiazole
OPENEYE Name: 3-(2-pyrrolidin-1-ylethoxy)-1,2-benzothiazole
IUPAC Name: 3-(2-pyrrolidin-1-ylethoxy)-1,2-benzothiazole
SYSTEMATIC NAME: 3-(2-pyrrolidin-1-ylethoxy)-1,2-benzothiazole
MOLECULAR FORMULA: C13H16N2OS
MOLECULAR WEIGHT: 248.34394
SMILES: C1CCN(C1)CCOC2=NSC3=CC=CC=C32
Structure:
CAS RN: 94087-34-0
CAS Name: 3-(1-piperidinylmethoxy)-1,2-benzothiazole
OPENEYE Name: 3-(1-piperidylmethoxy)-1,2-benzothiazole
IUPAC Name: 3-(piperidin-1-ylmethoxy)-1,2-benzothiazole
SYSTEMATIC NAME: 3-(piperidin-1-ylmethoxy)-1,2-benzothiazole
MOLECULAR FORMULA: C13H16N2OS
MOLECULAR WEIGHT: 248.34394
SMILES: C1CCN(CC1)COC2=NSC3=CC=CC=C32
Structure:
CAS RN: 94087-33-9
CAS Name: 3-(1,2-benzothiazol-3-yloxy)-1-propanamine
OPENEYE Name: 3-(1,2-benzothiazol-3-yloxy)propan-1-amine
IUPAC Name: 3-(1,2-benzothiazol-3-yloxy)propan-1-amine
SYSTEMATIC NAME: 3-(1,2-benzothiazol-3-yloxy)propan-1-amine
MOLECULAR FORMULA: C10H12N2OS
MOLECULAR WEIGHT: 208.28008
SMILES: C1=CC=C2C(=C1)C(=NS2)OCCCN
Structure:
CAS RN: 94087-27-1
CAS Name: 4-(1,2-benzothiazol-3-yloxymethyl)morpholine
OPENEYE Name: 4-(1,2-benzothiazol-3-yloxymethyl)morpholine
IUPAC Name: 4-(1,2-benzothiazol-3-yloxymethyl)morpholine
SYSTEMATIC NAME: 4-(1,2-benzothiazol-3-yloxymethyl)morpholine
MOLECULAR FORMULA: C12H14N2O2S
MOLECULAR WEIGHT: 250.31676
SMILES: C1COCCN1COC2=NSC3=CC=CC=C32
Structure:
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