CAS RN: 6512-25-0
CAS Name: 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)benzene-1,3-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxo-ethyl)benzene-1,3-dicarboxylate
IUPAC Name: dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)benzene-1,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 4-(2-methoxy-2-oxidanylidene-ethyl)-2,6-bis(oxidanyl)benzene-1,3-dicarboxylate
MOLECULAR FORMULA: C13H14O8
MOLECULAR WEIGHT: 298.24546
SMILES: COC(=O)CC1=CC(=C(C(=C1C(=O)OC)O)C(=O)OC)O
Structure:
CAS RN: 13675-94-0
CAS Name: 4-chloro-6-nitroquinoline
OPENEYE Name: 4-chloro-6-nitro-quinoline
IUPAC Name: 4-chloro-6-nitroquinoline
SYSTEMATIC NAME: 4-chloranyl-6-nitro-quinoline
MOLECULAR FORMULA: C9H5ClN2O2
MOLECULAR WEIGHT: 208.6012
SMILES: C1=CC2=NC=CC(=C2C=C1[N+](=O)[O-])Cl
Structure:
CAS RN: 79341-74-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H22O
MOLECULAR WEIGHT: 218.33458
SMILES: CC(=O)C1CCC=C2C1CC3CC2C3(C)C
Structure:
CAS RN: 40034-42-2
CAS Name: 1-ethyl-4-oxo-7-pyridin-4-yl-3-quinolinecarboxylic acid
OPENEYE Name: 1-ethyl-4-oxo-7-(4-pyridyl)quinoline-3-carboxylic acid
IUPAC Name: 1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-ethyl-4-oxidanylidene-7-pyridin-4-yl-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C17H14N2O3
MOLECULAR WEIGHT: 294.30466
SMILES: CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)O
Structure:
CAS RN: 35295-36-4
CAS Name: 1-(6-acetyl-2-biphenylenyl)ethanone
OPENEYE Name: 1-(6-acetylbiphenylen-2-yl)ethanone
IUPAC Name: 1-(6-acetylbiphenylen-2-yl)ethanone
SYSTEMATIC NAME: 1-(6-ethanoylbiphenylen-2-yl)ethanone
MOLECULAR FORMULA: C16H12O2
MOLECULAR WEIGHT: 236.26528
SMILES: CC(=O)C1=CC2=C3C=CC(=CC3=C2C=C1)C(=O)C
Structure:
CAS RN: 63816-00-2
CAS Name: 1,4,5,8-tetramethylbiphenylene
OPENEYE Name: 1,4,5,8-tetramethylbiphenylene
IUPAC Name: 1,4,5,8-tetramethylbiphenylene
SYSTEMATIC NAME: 1,4,5,8-tetramethylbiphenylene
MOLECULAR FORMULA: C16H16
MOLECULAR WEIGHT: 208.29824
SMILES: CC1=CC=C(C2=C3C(=CC=C(C3=C12)C)C)C
Structure:
CAS RN: 37752-81-1
CAS Name: 2,2-dimethylpropanoic acid [1-[dimethylamino(methoxy)phosphoryl]-2-methylprop-1-enyl] ester
OPENEYE Name: [1-[dimethylamino(methoxy)phosphoryl]-2-methyl-prop-1-enyl] 2,2-dimethylpropanoate
IUPAC Name: [1-[dimethylamino(methoxy)phosphoryl]-2-methylprop-1-enyl] 2,2-dimethylpropanoate
SYSTEMATIC NAME: [1-[dimethylamino(methoxy)phosphoryl]-2-methyl-prop-1-enyl] 2,2-dimethylpropanoate
MOLECULAR FORMULA: C12H24NO4P
MOLECULAR WEIGHT: 277.297021
SMILES: CC(=C(OC(=O)C(C)(C)C)P(=O)(N(C)C)OC)C
Structure:
CAS RN: 37752-44-6
CAS Name: 2-bromo-2-methylpropanoic acid (1-dipropoxyphosphoryl-2-methylprop-1-enyl) ester
OPENEYE Name: (1-dipropoxyphosphoryl-2-methyl-prop-1-enyl) 2-bromo-2-methyl-propanoate
IUPAC Name: (1-dipropoxyphosphoryl-2-methylprop-1-enyl) 2-bromo-2-methylpropanoate
SYSTEMATIC NAME: (1-dipropoxyphosphoryl-2-methyl-prop-1-enyl) 2-bromanyl-2-methyl-propanoate
MOLECULAR FORMULA: C14H26BrO5P
MOLECULAR WEIGHT: 385.231001
SMILES: CCCOP(=O)(C(=C(C)C)OC(=O)C(C)(C)Br)OCCC
Structure:
CAS RN: 37752-43-5
CAS Name: 2-methylpropanoic acid (1-dipropoxyphosphoryl-2-methylprop-1-enyl) ester
OPENEYE Name: (1-dipropoxyphosphoryl-2-methyl-prop-1-enyl) 2-methylpropanoate
IUPAC Name: (1-dipropoxyphosphoryl-2-methylprop-1-enyl) 2-methylpropanoate
SYSTEMATIC NAME: (1-dipropoxyphosphoryl-2-methyl-prop-1-enyl) 2-methylpropanoate
MOLECULAR FORMULA: C14H27O5P
MOLECULAR WEIGHT: 306.334941
SMILES: CCCOP(=O)(C(=C(C)C)OC(=O)C(C)C)OCCC
Structure:
CAS RN: 24744-72-7
CAS Name: 5-(3-ethoxy-2-nitroso-1,3-dioxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-(3-ethoxy-2-nitroso-3-oxo-propanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
IUPAC Name: ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-(3-ethoxy-2-nitroso-3-oxidanylidene-propanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C14H18N2O6
MOLECULAR WEIGHT: 310.30252
SMILES: CCOC(=O)C1=C(NC(=C1C)C(=O)C(C(=O)OCC)N=O)C
Structure:
CAS RN: 32153-16-5
CAS Name: 2-phenyl-2-[(phenylmethyl)amino]acetamide
OPENEYE Name: 2-(benzylamino)-2-phenyl-acetamide
IUPAC Name: 2-(benzylamino)-2-phenylacetamide
SYSTEMATIC NAME: 2-phenyl-2-[(phenylmethyl)amino]ethanamide
MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: C1=CC=C(C=C1)CNC(C2=CC=CC=C2)C(=O)N
Structure:
CAS RN: 2150-43-8
CAS Name: 3,4-dihydroxybenzoic acid methyl ester
OPENEYE Name: methyl 3,4-dihydroxybenzoate
IUPAC Name: methyl 3,4-dihydroxybenzoate
SYSTEMATIC NAME: methyl 3,4-bis(oxidanyl)benzoate
MOLECULAR FORMULA: C8H8O4
MOLECULAR WEIGHT: 168.14672
SMILES: COC(=O)C1=CC(=C(C=C1)O)O
Structure:
CAS RN: 3238-27-5
CAS Name: 2-[(3,4-dimethoxyphenyl)methylamino]-2-phenylacetonitrile
OPENEYE Name: 2-[(3,4-dimethoxyphenyl)methylamino]-2-phenyl-acetonitrile
IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylamino]-2-phenylacetonitrile
SYSTEMATIC NAME: 2-[(3,4-dimethoxyphenyl)methylamino]-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C17H18N2O2
MOLECULAR WEIGHT: 282.33702
SMILES: COC1=C(C=C(C=C1)CNC(C#N)C2=CC=CC=C2)OC
Structure:
CAS RN: 6944-42-9
CAS Name: 1,3-benzodioxole-4-carboxamide
OPENEYE Name: 1,3-benzodioxole-4-carboxamide
IUPAC Name: 1,3-benzodioxole-4-carboxamide
SYSTEMATIC NAME: 1,3-benzodioxole-4-carboxamide
MOLECULAR FORMULA: C8H7NO3
MOLECULAR WEIGHT: 165.14608
SMILES: C1OC2=CC=CC(=C2O1)C(=O)N
Structure:
CAS RN: 2880-89-9
CAS Name: 5-chloro-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-chloro-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-chloro-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-chloranyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11ClN2O6
MOLECULAR WEIGHT: 278.64644
SMILES: C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)Cl
Structure:
CAS RN: 37522-02-4
CAS Name: 3,3,4,4,5,5-hexafluoroheptane-2,6-diol
OPENEYE Name: 3,3,4,4,5,5-hexafluoroheptane-2,6-diol
IUPAC Name: 3,3,4,4,5,5-hexafluoroheptane-2,6-diol
SYSTEMATIC NAME: 3,3,4,4,5,5-hexakis(fluoranyl)heptane-2,6-diol
MOLECULAR FORMULA: C7H10F6O2
MOLECULAR WEIGHT: 240.143519
SMILES: CC(C(C(C(C(C)O)(F)F)(F)F)(F)F)O
Structure:
CAS RN: 6304-30-9
CAS Name: 1,3,5-trichloro-2-(chloromethyl)-4,6-dimethylbenzene
OPENEYE Name: 1,3,5-trichloro-2-(chloromethyl)-4,6-dimethyl-benzene
IUPAC Name: 1,3,5-trichloro-2-(chloromethyl)-4,6-dimethylbenzene
SYSTEMATIC NAME: 1,3,5-tris(chloranyl)-2-(chloromethyl)-4,6-dimethyl-benzene
MOLECULAR FORMULA: C9H8Cl4
MOLECULAR WEIGHT: 257.97182
SMILES: CC1=C(C(=C(C(=C1Cl)CCl)Cl)C)Cl
Structure:
CAS RN: 18635-38-6
CAS Name: 2-acetamido-3-chloropropanoic acid methyl ester
OPENEYE Name: methyl 2-acetamido-3-chloro-propanoate
IUPAC Name: methyl 2-acetamido-3-chloropropanoate
SYSTEMATIC NAME: methyl 2-acetamido-3-chloranyl-propanoate
MOLECULAR FORMULA: C6H10ClNO3
MOLECULAR WEIGHT: 179.6015
SMILES: CC(=O)NC(CCl)C(=O)OC
Structure:
CAS RN: 40026-27-5
CAS Name: 2-acetamido-3-chloropropanoic acid methyl ester
OPENEYE Name: methyl 2-acetamido-3-chloro-propanoate
IUPAC Name: methyl 2-acetamido-3-chloropropanoate
SYSTEMATIC NAME: methyl 2-acetamido-3-chloranyl-propanoate
MOLECULAR FORMULA: C6H10ClNO3
MOLECULAR WEIGHT: 179.6015
SMILES: CC(=O)NC(CCl)C(=O)OC
Structure:
CAS RN: 42206-47-3
CAS Name: 3-chloro-2-(ethoxycarbonylamino)propanoic acid methyl ester
OPENEYE Name: methyl 3-chloro-2-(ethoxycarbonylamino)propanoate
IUPAC Name: methyl 3-chloro-2-(ethoxycarbonylamino)propanoate
SYSTEMATIC NAME: methyl 3-chloranyl-2-(ethoxycarbonylamino)propanoate
MOLECULAR FORMULA: C7H12ClNO4
MOLECULAR WEIGHT: 209.62748
SMILES: CCOC(=O)NC(CCl)C(=O)OC
Structure:
CAS RN: 52386-29-5
CAS Name: 6-methyl-3-(phenylmethyl)-2,4-dihydro-1,3-benzoxazine
OPENEYE Name: 3-benzyl-6-methyl-2,4-dihydro-1,3-benzoxazine
IUPAC Name: 3-benzyl-6-methyl-2,4-dihydro-1,3-benzoxazine
SYSTEMATIC NAME: 6-methyl-3-(phenylmethyl)-2,4-dihydro-1,3-benzoxazine
MOLECULAR FORMULA: C16H17NO
MOLECULAR WEIGHT: 239.31228
SMILES: CC1=CC2=C(C=C1)OCN(C2)CC3=CC=CC=C3
Structure:
CAS RN: 30169-71-2
CAS Name: 2-butyl-1,3,2-dioxaborinane
OPENEYE Name: 2-butyl-1,3,2-dioxaborinane
IUPAC Name: 2-butyl-1,3,2-dioxaborinane
SYSTEMATIC NAME: 2-butyl-1,3,2-dioxaborinane
MOLECULAR FORMULA: C7H15BO2
MOLECULAR WEIGHT: 142.0038
SMILES: B1(OCCCO1)CCCC
Structure:
CAS RN: 5400-64-6
CAS Name: 1,1-dichloro-2-ethyl-2-methylcyclopropane
OPENEYE Name: 1,1-dichloro-2-ethyl-2-methyl-cyclopropane
IUPAC Name: 1,1-dichloro-2-ethyl-2-methylcyclopropane
SYSTEMATIC NAME: 1,1-bis(chloranyl)-2-ethyl-2-methyl-cyclopropane
MOLECULAR FORMULA: C6H10Cl2
MOLECULAR WEIGHT: 153.0496
SMILES: CCC1(CC1(Cl)Cl)C
Structure:
CAS RN: 69087-94-1
CAS Name: 1,2,3,3a,4,5,6,6a,7,8,9,9a-dodecahydrophenalen-9b-ol
OPENEYE Name: 1,2,3,3a,4,5,6,6a,7,8,9,9a-dodecahydrophenalen-9b-ol
IUPAC Name: 1,2,3,3a,4,5,6,6a,7,8,9,9a-dodecahydrophenalen-9b-ol
SYSTEMATIC NAME: 1,2,3,3a,4,5,6,6a,7,8,9,9a-dodecahydrophenalen-9b-ol
MOLECULAR FORMULA: C13H22O
MOLECULAR WEIGHT: 194.31318
SMILES: C1CC2CCCC3C2(C(C1)CCC3)O
Structure:
CAS RN: 25859-63-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H34O5
MOLECULAR WEIGHT: 366.49166
SMILES: CC(C)C12C(O1)CC3C4(CCCC(C4CCC3(C2O)O)(C)C(=O)OC)C
Structure:
CAS RN: 32111-52-7
CAS Name: 8,8a-dihydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,4b,5,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester
OPENEYE Name: methyl 8,8a-dihydroxy-7-isopropyl-1,4a-dimethyl-3,4,4b,5,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
IUPAC Name: methyl 8,8a-dihydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,4b,5,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
SYSTEMATIC NAME: methyl 1,4a-dimethyl-8,8a-bis(oxidanyl)-7-propan-2-yl-3,4,4b,5,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
MOLECULAR FORMULA: C21H34O4
MOLECULAR WEIGHT: 350.49226
SMILES: CC(C)C1=CCC2C3(CCCC(C3CCC2(C1O)O)(C)C(=O)OC)C
Structure:
CAS RN: 25859-65-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H32O5
MOLECULAR WEIGHT: 364.47578
SMILES: CC(C)[C@]12[C@H](O1)[C@@]34CC[C@@H]5[C@@]([C@H]3CC2OO4)(CCC[C@@]5(C)C(=O)OC)C
Structure:
CAS RN: 25983-13-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H34O4
MOLECULAR WEIGHT: 350.49226
SMILES: CC(C)C12CC3(CCC4C(C3CC1O2)(CCCC4(C)C(=O)OC)C)O
Structure:
CAS RN: 124-46-9
CAS Name: carbonic acid; guanidine
OPENEYE Name: carbonic acid; guanidine
IUPAC Name: carbonic acid; guanidine
SYSTEMATIC NAME: carbonic acid; guanidine
MOLECULAR FORMULA: C2H7N3O3
MOLECULAR WEIGHT: 121.09528
SMILES: C(=N)(N)N.C(=O)(O)O
Structure:
CAS RN: 25384-89-8
CAS Name: (2-tert-butylphenoxy)-trimethylsilane
OPENEYE Name: (2-tert-butylphenoxy)-trimethyl-silane
IUPAC Name: (2-tert-butylphenoxy)-trimethylsilane
SYSTEMATIC NAME: (2-tert-butylphenoxy)-trimethyl-silane
MOLECULAR FORMULA: C13H22OSi
MOLECULAR WEIGHT: 222.39868
SMILES: CC(C)(C)C1=CC=CC=C1O[Si](C)(C)C
Structure:
CAS RN: 1807-29-0
CAS Name: (2,5-dimethylphenoxy)-trimethylsilane
OPENEYE Name: (2,5-dimethylphenoxy)-trimethyl-silane
IUPAC Name: (2,5-dimethylphenoxy)-trimethylsilane
SYSTEMATIC NAME: (2,5-dimethylphenoxy)-trimethyl-silane
MOLECULAR FORMULA: C11H18OSi
MOLECULAR WEIGHT: 194.34552
SMILES: CC1=CC(=C(C=C1)C)O[Si](C)(C)C
Structure:
CAS RN: 36601-42-0
CAS Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid methyl ester
OPENEYE Name: methyl 4-(3-nitrophenyl)sulfonyloxybenzoate
IUPAC Name: methyl 4-(3-nitrophenyl)sulfonyloxybenzoate
SYSTEMATIC NAME: methyl 4-(3-nitrophenyl)sulfonyloxybenzoate
MOLECULAR FORMULA: C14H11NO7S
MOLECULAR WEIGHT: 337.30464
SMILES: COC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]
Structure:
CAS RN: 55809-88-6
CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-(trifluoromethyl)phenyl] ester
OPENEYE Name: [3-(trifluoromethyl)phenyl] 3-(trifluoromethyl)benzenesulfonate
IUPAC Name: [3-(trifluoromethyl)phenyl] 3-(trifluoromethyl)benzenesulfonate
SYSTEMATIC NAME: [3-(trifluoromethyl)phenyl] 3-(trifluoromethyl)benzenesulfonate
MOLECULAR FORMULA: C14H8F6O3S
MOLECULAR WEIGHT: 370.266939
SMILES: C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(F)(F)F
Structure:
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