CAS RN: 94200-19-8
CAS Name: ethanesulfonate; 1-ethyl-2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]quinolin-1-ium
OPENEYE Name: ethanesulfonate; 1-ethyl-2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]quinolin-1-ium
IUPAC Name: ethanesulfonate; 1-ethyl-2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]quinolin-1-ium
SYSTEMATIC NAME: ethanesulfonate; 1-ethyl-2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]quinolin-1-ium
MOLECULAR FORMULA: C23H24N2O5S
MOLECULAR WEIGHT: 440.51206
SMILES: CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C=C/C3=CC=C(C=C3)[N+](=O)[O-].CCS(=O)(=O)[O-]
Structure:
CAS RN: 94199-66-3
CAS Name: (E)-2-methyl-2-pentenoic acid (2-methyl-4-oxo-3-pyranyl) ester
OPENEYE Name: (2-methyl-4-oxo-pyran-3-yl) (E)-2-methylpent-2-enoate
IUPAC Name: (2-methyl-4-oxopyran-3-yl) (E)-2-methylpent-2-enoate
SYSTEMATIC NAME: (2-methyl-4-oxidanylidene-pyran-3-yl) (E)-2-methylpent-2-enoate
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: CC/C=C(\C)/C(=O)OC1=C(OC=CC1=O)C
Structure:
CAS RN: 94199-58-3
CAS Name: 2-acetyl-4-nitro-1-nitrosoanthracene-9,10-dione
OPENEYE Name: 2-acetyl-4-nitro-1-nitroso-anthracene-9,10-dione
IUPAC Name: 2-acetyl-4-nitro-1-nitrosoanthracene-9,10-dione
SYSTEMATIC NAME: 2-ethanoyl-4-nitro-1-nitroso-anthracene-9,10-dione
MOLECULAR FORMULA: C16H8N2O6
MOLECULAR WEIGHT: 324.24452
SMILES: CC(=O)C1=CC(=C2C(=C1N=O)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]
Structure:
CAS RN: 94160-39-1
CAS Name: 1-[3-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]anilino]-4-hydroxyanthracene-9,10-dione
OPENEYE Name: 1-[3-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]anilino]-4-hydroxy-anthracene-9,10-dione
IUPAC Name: 1-[3-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]anilino]-4-hydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1-[[3-[[4-(dibutylamino)-6-fluoranyl-1,3,5-triazin-2-yl]oxy]phenyl]amino]-4-oxidanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C31H30FN5O4
MOLECULAR WEIGHT: 555.599403
SMILES: CCCCN(CCCC)C1=NC(=NC(=N1)F)OC2=CC=CC(=C2)NC3=C4C(=C(C=C3)O)C(=O)C5=CC=CC=C5C4=O
Structure:
CAS RN: 94160-37-9
CAS Name: 1,5-diamino-2-[4-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]phenyl]-4,8-dihydroxyanthracene-9,10-dione
OPENEYE Name: 1,5-diamino-2-[4-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]phenyl]-4,8-dihydroxy-anthracene-9,10-dione
IUPAC Name: 1,5-diamino-2-[4-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]phenyl]-4,8-dihydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1,5-bis(azanyl)-2-[4-[[4-(dibutylamino)-6-fluoranyl-1,3,5-triazin-2-yl]oxy]phenyl]-4,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C31H31FN6O5
MOLECULAR WEIGHT: 586.613443
SMILES: CCCCN(CCCC)C1=NC(=NC(=N1)F)OC2=CC=C(C=C2)C3=CC(=C4C(=C3N)C(=O)C5=C(C=CC(=C5C4=O)N)O)O
Structure:
CAS RN: 94160-31-3
CAS Name: 2-propenoic acid 1-[2,3-bis(2-hydroxypropoxy)propoxy]propan-2-yl ester
OPENEYE Name: [2-[2,3-bis(2-hydroxypropoxy)propoxy]-1-methyl-ethyl] prop-2-enoate
IUPAC Name: 1-[2,3-bis(2-hydroxypropoxy)propoxy]propan-2-yl prop-2-enoate
SYSTEMATIC NAME: 1-[2,3-bis(2-oxidanylpropoxy)propoxy]propan-2-yl prop-2-enoate
MOLECULAR FORMULA: C15H28O7
MOLECULAR WEIGHT: 320.37862
SMILES: CC(COCC(COCC(C)OC(=O)C=C)OCC(C)O)O
Structure:
CAS RN: 94159-36-1
CAS Name: 2-bromoacetic acid 1,3-dihydroxypropan-2-yl ester
OPENEYE Name: [2-hydroxy-1-(hydroxymethyl)ethyl] 2-bromoacetate
IUPAC Name: 1,3-dihydroxypropan-2-yl 2-bromoacetate
SYSTEMATIC NAME: 1,3-bis(oxidanyl)propan-2-yl 2-bromanylethanoate
MOLECULAR FORMULA: C5H9BrO4
MOLECULAR WEIGHT: 213.02656
SMILES: C(C(CO)OC(=O)CBr)O
Structure:
CAS RN: 94158-81-3
CAS Name: 1,4-diamino-2,3,5-trichloro-8-hydroxyanthracene-9,10-dione
OPENEYE Name: 1,4-diamino-2,3,5-trichloro-8-hydroxy-anthracene-9,10-dione
IUPAC Name: 1,4-diamino-2,3,5-trichloro-8-hydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1,4-bis(azanyl)-2,3,5-tris(chloranyl)-8-oxidanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C14H7Cl3N2O3
MOLECULAR WEIGHT: 357.57598
SMILES: C1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=C(C(=C3N)Cl)Cl)N)Cl
Structure:
CAS RN: 94158-70-0
CAS Name: (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heneicosafluoro-2-hydroxytridecyl) dihydrogen phosphate
OPENEYE Name: (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxy-tridecyl) dihydrogen phosphate
IUPAC Name: (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl) dihydrogen phosphate
SYSTEMATIC NAME: [4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosakis(fluoranyl)-2-oxidanyl-tridecyl] dihydrogen phosphate
MOLECULAR FORMULA: C13H8F21O5P
MOLECULAR WEIGHT: 674.139848
SMILES: C(C(COP(=O)(O)O)O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 94158-65-3
CAS Name: 2-methyl-2-propenoic acid [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] ester
OPENEYE Name: [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] 2-methylprop-2-enoate
IUPAC Name: [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] 2-methylprop-2-enoate
SYSTEMATIC NAME: [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontakis(fluoranyl)-17-(trifluoromethyl)octadecyl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C23H9F35O2
MOLECULAR WEIGHT: 982.260472
SMILES: CC(=C)C(=O)OCCC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 94158-64-2
CAS Name: 2-methyl-2-propenoic acid [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl] ester
OPENEYE Name: [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl] 2-methylprop-2-enoate
IUPAC Name: [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl] 2-methylprop-2-enoate
SYSTEMATIC NAME: [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosakis(fluoranyl)-15-(trifluoromethyl)hexadecyl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C21H9F31O2
MOLECULAR WEIGHT: 882.245459
SMILES: CC(=C)C(=O)OCCC(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 94158-63-1
CAS Name: 2-propenoic acid [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] ester
OPENEYE Name: [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] prop-2-enoate
IUPAC Name: [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] prop-2-enoate
SYSTEMATIC NAME: [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontakis(fluoranyl)-17-(trifluoromethyl)octadecyl] prop-2-enoate
MOLECULAR FORMULA: C22H7F35O2
MOLECULAR WEIGHT: 968.233892
SMILES: C=CC(=O)OCCC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 94158-38-0
CAS Name: di(butan-2-yl)ammonium; hydrogen sulfate
OPENEYE Name: disec-butylammonium; hydrogen sulfate
IUPAC Name: di(butan-2-yl)azanium; hydrogen sulfate
SYSTEMATIC NAME: di(butan-2-yl)azanium; hydrogen sulfate
MOLECULAR FORMULA: C8H21NO4S
MOLECULAR WEIGHT: 227.32164
SMILES: CCC(C)[NH2+]C(C)CC.OS(=O)(=O)[O-]
Structure:
CAS RN: 94158-37-9
CAS Name: dibutylammonium; hydrogen sulfate
OPENEYE Name: dibutylammonium; hydrogen sulfate
IUPAC Name: dibutylazanium; hydrogen sulfate
SYSTEMATIC NAME: dibutylazanium; hydrogen sulfate
MOLECULAR FORMULA: C8H21NO4S
MOLECULAR WEIGHT: 227.32164
SMILES: CCCC[NH2+]CCCC.OS(=O)(=O)[O-]
Structure:
CAS RN: 94138-79-1
CAS Name: tetradecanoic acid [2-hydroxy-3-(2-hydroxy-1-oxopropoxy)propyl] ester
OPENEYE Name: [2-hydroxy-3-(2-hydroxypropanoyloxy)propyl] tetradecanoate
IUPAC Name: [2-hydroxy-3-(2-hydroxypropanoyloxy)propyl] tetradecanoate
SYSTEMATIC NAME: [2-oxidanyl-3-(2-oxidanylpropanoyloxy)propyl] tetradecanoate
MOLECULAR FORMULA: C20H38O6
MOLECULAR WEIGHT: 374.51212
SMILES: CCCCCCCCCCCCCC(=O)OCC(COC(=O)C(C)O)O
Structure:
CAS RN: 94135-77-0
CAS Name: N-[(E)-(1,5-dimethyl-2-phenyl-3-pyrazolylidene)amino]-1,2-dimethyl-3-indol-1-iumimine acetate
OPENEYE Name: N-[(E)-(1,5-dimethyl-2-phenyl-pyrazol-3-ylidene)amino]-1,2-dimethyl-indol-1-ium-3-imine acetate
IUPAC Name: N-[(E)-(1,5-dimethyl-2-phenylpyrazol-3-ylidene)amino]-1,2-dimethylindol-1-ium-3-imine acetate
SYSTEMATIC NAME: N-[(E)-(1,5-dimethyl-2-phenyl-pyrazol-3-ylidene)amino]-1,2-dimethyl-indol-1-ium-3-imine ethanoate
MOLECULAR FORMULA: C23H25N5O2
MOLECULAR WEIGHT: 403.4769
SMILES: CC1=C/C(=N\N=C/2\C(=[N+](C3=CC=CC=C32)C)C)/N(N1C)C4=CC=CC=C4.CC(=O)[O-]
Structure:
CAS RN: 94135-76-9
CAS Name: 1,5-dimethyl-N-[(E)-(2-methyl-3-indolylidene)amino]-2-phenyl-3-pyrazol-2-iumamine acetate
OPENEYE Name: 1,5-dimethyl-N-[(E)-(2-methylindol-3-ylidene)amino]-2-phenyl-pyrazol-2-ium-3-amine acetate
IUPAC Name: 1,5-dimethyl-N-[(E)-(2-methylindol-3-ylidene)amino]-2-phenylpyrazol-2-ium-3-amine acetate
SYSTEMATIC NAME: 1,5-dimethyl-N-[(E)-(2-methylindol-3-ylidene)amino]-2-phenyl-pyrazol-2-ium-3-amine ethanoate
MOLECULAR FORMULA: C22H23N5O2
MOLECULAR WEIGHT: 389.45032
SMILES: CC1=CC(=[N+](N1C)C2=CC=CC=C2)N/N=C\3/C(=NC4=CC=CC=C43)C.CC(=O)[O-]
Structure:
CAS RN: 94135-72-5
CAS Name: 2-methylpropanoic acid 2-(4-methyl-1-cyclohex-2-enyl)propan-2-yl ester
OPENEYE Name: [1-methyl-1-(4-methylcyclohex-2-en-1-yl)ethyl] 2-methylpropanoate
IUPAC Name: 2-(4-methylcyclohex-2-en-1-yl)propan-2-yl 2-methylpropanoate
SYSTEMATIC NAME: 2-(4-methylcyclohex-2-en-1-yl)propan-2-yl 2-methylpropanoate
MOLECULAR FORMULA: C14H24O2
MOLECULAR WEIGHT: 224.33916
SMILES: CC1CCC(C=C1)C(C)(C)OC(=O)C(C)C
Structure:
CAS RN: 94135-62-3
CAS Name: 3-ammoniopropyl(dimethyl)ammonium; hydrogen phosphate
OPENEYE Name: 3-azaniumylpropyl(dimethyl)ammonium; hydrogen phosphate
IUPAC Name: 3-azaniumylpropyl(dimethyl)azanium; hydrogen phosphate
SYSTEMATIC NAME: 3-azaniumylpropyl(dimethyl)azanium; hydrogen phosphate
MOLECULAR FORMULA: C5H17N2O4P
MOLECULAR WEIGHT: 200.173241
SMILES: C[NH+](C)CCC[NH3+].OP(=O)([O-])[O-]
Structure:
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