CAS RN: 67383-09-9
CAS Name: 6-[2-(2-methyl-1-imidazolyl)ethyl]-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-[2-(2-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-[2-(2-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-[2-(2-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C9H13N7
MOLECULAR WEIGHT: 219.24642
SMILES: CC1=NC=CN1CCC2=NC(=NC(=N2)N)N
Structure:
CAS RN: 4974-59-8
CAS Name: 4-(4-ethylsulfonyl-2-nitrophenyl)azo-5-methyl-1-phenyl-3-pyrazolamine
OPENEYE Name: 4-(4-ethylsulfonyl-2-nitro-phenyl)azo-5-methyl-1-phenyl-pyrazol-3-amine
IUPAC Name: 4-[(4-ethylsulfonyl-2-nitrophenyl)diazenyl]-5-methyl-1-phenylpyrazol-3-amine
SYSTEMATIC NAME: 4-[(4-ethylsulfonyl-2-nitro-phenyl)diazenyl]-5-methyl-1-phenyl-pyrazol-3-amine
MOLECULAR FORMULA: C18H18N6O4S
MOLECULAR WEIGHT: 414.43832
SMILES: CCS(=O)(=O)C1=CC(=C(C=C1)N=NC2=C(N(N=C2N)C3=CC=CC=C3)C)[N+](=O)[O-]
Structure:
CAS RN: 162142-54-3
CAS Name: zinc 2,5-diethoxy-4-[(4-methylphenyl)thio]benzenediazonium tetrachloride
OPENEYE Name: zinc 2,5-diethoxy-4-(p-tolylsulfanyl)benzenediazonium tetrachloride
IUPAC Name: zinc 2,5-diethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium tetrachloride
SYSTEMATIC NAME: zinc 2,5-diethoxy-4-(4-methylphenyl)sulfanyl-benzenediazonium tetrachloride
MOLECULAR FORMULA: C34H38Cl4N4O4S2Zn
MOLECULAR WEIGHT: 838.04092
SMILES: CCOC1=CC(=C(C=C1[N+]#N)OCC)SC2=CC=C(C=C2)C.CCOC1=CC(=C(C=C1[N+]#N)OCC)SC2=CC=C(C=C2)C.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
Structure:
CAS RN: 38656-51-8
CAS Name: zinc 2,5-diethoxy-4-[(4-methylphenyl)thio]benzenediazonium tetrachloride
OPENEYE Name: zinc 2,5-diethoxy-4-(p-tolylsulfanyl)benzenediazonium tetrachloride
IUPAC Name: zinc 2,5-diethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium tetrachloride
SYSTEMATIC NAME: zinc 2,5-diethoxy-4-(4-methylphenyl)sulfanyl-benzenediazonium tetrachloride
MOLECULAR FORMULA: C34H38Cl4N4O4S2Zn
MOLECULAR WEIGHT: 838.04092
SMILES: CCOC1=CC(=C(C=C1[N+]#N)OCC)SC2=CC=C(C=C2)C.CCOC1=CC(=C(C=C1[N+]#N)OCC)SC2=CC=C(C=C2)C.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
Structure:
CAS RN: 38584-87-1
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-ethylhexanoic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-ethylhexanoic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-ethylhexanoic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-ethylhexanoic acid
MOLECULAR FORMULA: C14H31NO5
MOLECULAR WEIGHT: 293.39964
SMILES: CCCCC(CC)C(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 38412-46-3
CAS Name: 6-[4-hydroxy-2-methyl-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-4-methoxy-2-pyranone
OPENEYE Name: 6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-4-methoxy-pyran-2-one
IUPAC Name: 6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one
SYSTEMATIC NAME: 6-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-phenyl]-4-methoxy-pyran-2-one
MOLECULAR FORMULA: C19H22O10
MOLECULAR WEIGHT: 410.37198
SMILES: CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Structure:
CAS RN: 57693-77-3
CAS Name: 6-[4-hydroxy-2-methyl-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-4-methoxy-2-pyranone
OPENEYE Name: 6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-4-methoxy-pyran-2-one
IUPAC Name: 6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one
SYSTEMATIC NAME: 6-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-phenyl]-4-methoxy-pyran-2-one
MOLECULAR FORMULA: C19H22O10
MOLECULAR WEIGHT: 410.37198
SMILES: CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Structure:
CAS RN: 38402-02-7
CAS Name: bis(2-hydroxyethyl)-dimethylammonium
OPENEYE Name: bis(2-hydroxyethyl)-dimethyl-ammonium
IUPAC Name: bis(2-hydroxyethyl)-dimethylazanium
SYSTEMATIC NAME: bis(2-hydroxyethyl)-dimethyl-azanium
MOLECULAR FORMULA: C6H16NO2+
MOLECULAR WEIGHT: 134.19674
SMILES: C[N+](C)(CCO)CCO
Structure:
CAS RN: 38402-02-7
CAS Name: bis(2-hydroxyethyl)-dimethylammonium chloride
OPENEYE Name: bis(2-hydroxyethyl)-dimethyl-ammonium chloride
IUPAC Name: bis(2-hydroxyethyl)-dimethylazanium chloride
SYSTEMATIC NAME: bis(2-hydroxyethyl)-dimethyl-azanium chloride
MOLECULAR FORMULA: C6H16ClNO2
MOLECULAR WEIGHT: 169.64974
SMILES: C[N+](C)(CCO)CCO.[Cl-]
Structure:
CAS RN: 483-75-0
CAS Name: 1-(3-aminoanilino)-3-phenoxy-2-propanol
OPENEYE Name: 1-(3-aminoanilino)-3-phenoxy-propan-2-ol
IUPAC Name: 1-(3-aminoanilino)-3-phenoxypropan-2-ol
SYSTEMATIC NAME: 1-[(3-aminophenyl)amino]-3-phenoxy-propan-2-ol
MOLECULAR FORMULA: C15H18N2O2
MOLECULAR WEIGHT: 258.31562
SMILES: C1=CC=C(C=C1)OCC(CNC2=CC=CC(=C2)N)O
Structure:
CAS RN: 4840-75-9
CAS Name: 1-(3-aminoanilino)-3-phenoxy-2-propanol
OPENEYE Name: 1-(3-aminoanilino)-3-phenoxy-propan-2-ol
IUPAC Name: 1-(3-aminoanilino)-3-phenoxypropan-2-ol
SYSTEMATIC NAME: 1-[(3-aminophenyl)amino]-3-phenoxy-propan-2-ol
MOLECULAR FORMULA: C15H18N2O2
MOLECULAR WEIGHT: 258.31562
SMILES: C1=CC=C(C=C1)OCC(CNC2=CC=CC(=C2)N)O
Structure:
CAS RN: 20880-01-7
CAS Name: 1-(3-aminoanilino)-3-phenoxy-2-propanol
OPENEYE Name: 1-(3-aminoanilino)-3-phenoxy-propan-2-ol
IUPAC Name: 1-(3-aminoanilino)-3-phenoxypropan-2-ol
SYSTEMATIC NAME: 1-[(3-aminophenyl)amino]-3-phenoxy-propan-2-ol
MOLECULAR FORMULA: C15H18N2O2
MOLECULAR WEIGHT: 258.31562
SMILES: C1=CC=C(C=C1)OCC(CNC2=CC=CC(=C2)N)O
Structure:
CAS RN: 4805-30-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 220.35046
SMILES: C[C@H]1CC[C@@]23[C@@]1(O2)C[C@@H]4CC[C@]3(C4(C)C)C
Structure:
CAS RN: 121402-93-5
CAS Name: acetic acid 6-methylhept-6-en-2-yl ester
OPENEYE Name: 1,5-dimethylhex-5-enyl acetate
IUPAC Name: 6-methylhept-6-en-2-yl acetate
SYSTEMATIC NAME: 6-methylhept-6-en-2-yl ethanoate
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CC(CCCC(=C)C)OC(=O)C
Structure:
CAS RN: 11103-59-6
CAS Name: 10-[dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]ammonio]decyl-dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]ammonium dichloride
OPENEYE Name: [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl]-[10-[[2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl]-dimethyl-ammonio]decyl]-dimethyl-ammonium dichloride
IUPAC Name: 10-[dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azaniumyl]decyl-dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azanium dichloride
SYSTEMATIC NAME: 10-[dimethyl-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl]azaniumyl]decyl-dimethyl-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl]azanium dichloride
MOLECULAR FORMULA: C38H74Cl2N2O4
MOLECULAR WEIGHT: 693.91116
SMILES: CC1CCC(C(C1)OC(=O)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC(=O)OC2CC(CCC2C(C)C)C)C(C)C.[Cl-].[Cl-]
Structure:
CAS RN: 32726-24-2
CAS Name: 10-[dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]ammonio]decyl-dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]ammonium dichloride
OPENEYE Name: [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl]-[10-[[2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl]-dimethyl-ammonio]decyl]-dimethyl-ammonium dichloride
IUPAC Name: 10-[dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azaniumyl]decyl-dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azanium dichloride
SYSTEMATIC NAME: 10-[dimethyl-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl]azaniumyl]decyl-dimethyl-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl]azanium dichloride
MOLECULAR FORMULA: C38H74Cl2N2O4
MOLECULAR WEIGHT: 693.91116
SMILES: CC1CCC(C(C1)OC(=O)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC(=O)OC2CC(CCC2C(C)C)C)C(C)C.[Cl-].[Cl-]
Structure:
CAS RN: 38146-42-8
CAS Name: 10-[dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]ammonio]decyl-dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]ammonium dichloride
OPENEYE Name: [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl]-[10-[[2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl]-dimethyl-ammonio]decyl]-dimethyl-ammonium dichloride
IUPAC Name: 10-[dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azaniumyl]decyl-dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azanium dichloride
SYSTEMATIC NAME: 10-[dimethyl-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl]azaniumyl]decyl-dimethyl-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl]azanium dichloride
MOLECULAR FORMULA: C38H74Cl2N2O4
MOLECULAR WEIGHT: 693.91116
SMILES: CC1CCC(C(C1)OC(=O)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC(=O)OC2CC(CCC2C(C)C)C)C(C)C.[Cl-].[Cl-]
Structure:
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