CAS RN: 79030-53-8
CAS Name: (1R,2S)-2-phenyl-1-cyclopropanamine; 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol
OPENEYE Name: (1R,2S)-2-phenylcyclopropanamine; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
IUPAC Name: (1R,2S)-2-phenylcyclopropan-1-amine; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
SYSTEMATIC NAME: (1R,2S)-2-phenylcyclopropan-1-amine; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
MOLECULAR FORMULA: C31H37F3N4OS
MOLECULAR WEIGHT: 570.71189
SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.C1[C@H]([C@@H]1N)C2=CC=CC=C2
CAS RN: 403483-39-6
CAS Name: 2-methyl-2-propenoic acid 2,3-dihydroxypropyl ester; 2-methyl-2-propenoic acid 1,1,1,3,3,3-hexafluoropropan-2-yl ester; 2-methyl-2-propenoic acid 2-hydroxyethyl ester; 2-methyl-2-propenoic acid methyl ester; 2-methyl-2-propenoic acid 2-[2-[2-(2-methyl-1-o
OPENEYE Name: acrylic acid; allyl 2-methylprop-2-enoate; 2,3-dihydroxypropyl 2-methylprop-2-enoate; 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate; 3-[[3-(2-methylprop-2-eno
IUPAC Name: 2,3-dihydroxypropyl 2-methylprop-2-enoate; 1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate; 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate; 3-[[3-(2-me
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl 2-methylprop-2-enoate; 1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl 2-methylprop-2-enoate; 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;
MOLECULAR FORMULA: C97H175F9O37Si10
MOLECULAR WEIGHT: 2385.245829
SMILES: CC(=C)C(=O)OC.CC(=C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.CC(=C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](CCCOC(=O)C(=C)C)(O[Si](C)(C)C)O[Si](C)(C)C.CC(=C)C(=O)OCCO.CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C.CC(=C)C(=O)OCC=C.CC(=C)C(=O)OCC(CO)O
CAS RN: 93963-80-5
CAS Name: disodium 3-[[6-(2,4-dimethyl-3-sulfonatophenyl)imino-9-(2-sulfophenyl)-3-xanthenyl]amino]-2,6-dimethylbenzenesulfonate
OPENEYE Name: disodium 3-[[6-(2,4-dimethyl-3-sulfonato-phenyl)imino-9-(2-sulfophenyl)xanthen-3-yl]amino]-2,6-dimethyl-benzenesulfonate
IUPAC Name: disodium 3-[[6-(2,4-dimethyl-3-sulfonatophenyl)imino-9-(2-sulfophenyl)xanthen-3-yl]amino]-2,6-dimethylbenzenesulfonate
SYSTEMATIC NAME: disodium 3-[[6-(2,4-dimethyl-3-sulfonato-phenyl)imino-9-(2-sulfophenyl)xanthen-3-yl]amino]-2,6-dimethyl-benzenesulfonate
MOLECULAR FORMULA: C35H28N2Na2O10S3
MOLECULAR WEIGHT: 778.77876
SMILES: CC1=C(C(=C(C=C1)NC2=CC3=C(C=C2)C(=C4C=CC(=NC5=C(C(=C(C=C5)C)S(=O)(=O)[O-])C)C=C4O3)C6=CC=CC=C6S(=O)(=O)O)C)S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 146938-46-7
CAS Name: 2,4-diisocyanato-1-methylbenzene; ethane-1,2-diamine; 2-oxepanone
OPENEYE Name: 2,4-diisocyanato-1-methyl-benzene; ethane-1,2-diamine; oxepan-2-one
IUPAC Name: 2,4-diisocyanato-1-methylbenzene; ethane-1,2-diamine; oxepan-2-one
SYSTEMATIC NAME: 2,4-diisocyanato-1-methyl-benzene; ethane-1,2-diamine; oxepan-2-one
MOLECULAR FORMULA: C17H24N4O4
MOLECULAR WEIGHT: 348.39686
SMILES: CC1=C(C=C(C=C1)N=C=O)N=C=O.C1CCC(=O)OCC1.C(CN)N
CAS RN: 82506-99-8
CAS Name: N-[(Z)-4-chloro-3-nitrosobut-2-en-2-yl]hydroxylamine
OPENEYE Name: N-[(Z)-3-chloro-1-methyl-2-nitroso-prop-1-enyl]hydroxylamine
IUPAC Name: N-[(Z)-4-chloro-3-nitrosobut-2-en-2-yl]hydroxylamine
SYSTEMATIC NAME: N-[(Z)-4-chloranyl-3-nitroso-but-2-en-2-yl]hydroxylamine
MOLECULAR FORMULA: C4H7ClN2O2
MOLECULAR WEIGHT: 150.56358
SMILES: C/C(=C(\CCl)/N=O)/NO
CAS RN: 72828-34-3
CAS Name: 1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3-diazetidine-2,4-dione; butane-1,4-diol
OPENEYE Name: 1,3-bis[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]-1,3-diazetidine-2,4-dione; butane-1,4-diol
IUPAC Name: 1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3-diazetidine-2,4-dione; butane-1,4-diol
SYSTEMATIC NAME: 1,3-bis[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]-1,3-diazetidine-2,4-dione; butane-1,4-diol
MOLECULAR FORMULA: C28H46N4O6
MOLECULAR WEIGHT: 534.68804
SMILES: CC1(CC(CC(C1)(C)CN2C(=O)N(C2=O)CC3(CC(CC(C3)(C)C)N=C=O)C)N=C=O)C.C(CCO)CO
CAS RN: 85392-34-3
CAS Name: (2E)-2-(5-bicyclo[2.2.1]hept-2-enylmethylidene)butanal
OPENEYE Name: (2E)-2-(5-bicyclo[2.2.1]hept-2-enylmethylene)butanal
IUPAC Name: (2E)-2-(5-bicyclo[2.2.1]hept-2-enylmethylidene)butanal
SYSTEMATIC NAME: (2E)-2-(5-bicyclo[2.2.1]hept-2-enylmethylidene)butanal
MOLECULAR FORMULA: C12H16O
MOLECULAR WEIGHT: 176.25484
SMILES: CC/C(=C\C1CC2CC1C=C2)/C=O
CAS RN: 75184-03-1
CAS Name: 2-(chloromethyl)oxirane; 1,2-dihydropyridazine-3,6-dione; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
OPENEYE Name: 2-(chloromethyl)oxirane; 1,2-dihydropyridazine-3,6-dione; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol
IUPAC Name: 2-(chloromethyl)oxirane; 1,2-dihydropyridazine-3,6-dione; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 1,2-dihydropyridazine-3,6-dione; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
MOLECULAR FORMULA: C22H25ClN2O5
MOLECULAR WEIGHT: 432.8973
SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl.C1=CC(=O)NNC1=O
CAS RN: 72391-21-0
CAS Name: 2-aminoethanol; 4-(2,5,7,7-tetramethyloctan-4-yl)benzenesulfonic acid
OPENEYE Name: 2-aminoethanol; 4-(1-isobutyl-2,4,4-trimethyl-pentyl)benzenesulfonic acid
IUPAC Name: 2-aminoethanol; 4-(2,5,7,7-tetramethyloctan-4-yl)benzenesulfonic acid
SYSTEMATIC NAME: 2-azanylethanol; 4-(2,5,7,7-tetramethyloctan-4-yl)benzenesulfonic acid
MOLECULAR FORMULA: C20H37NO4S
MOLECULAR WEIGHT: 387.57708
SMILES: CC(C)CC(C1=CC=C(C=C1)S(=O)(=O)O)C(C)CC(C)(C)C.C(CO)N
CAS RN: 94201-49-7
CAS Name: sodium 5,5-diethyl-1-(phenylmethyl)pyrimidin-3-ide-2,4,6-trione
OPENEYE Name: sodium 1-benzyl-5,5-diethyl-hexahydropyrimidin-3-ide-2,4,6-trione
IUPAC Name: sodium 1-benzyl-5,5-diethylpyrimidin-3-ide-2,4,6-trione
SYSTEMATIC NAME: sodium 5,5-diethyl-1-(phenylmethyl)pyrimidin-3-ide-2,4,6-trione
MOLECULAR FORMULA: C15H17N2NaO3
MOLECULAR WEIGHT: 296.29685
SMILES: CCC1(C(=O)[N-]C(=O)N(C1=O)CC2=CC=CC=C2)CC.[Na+]
CAS RN: 113033-14-0
CAS Name: sodium 2-(1,3-dioxo-2-indenyl)-4H-quinoline-1-sulfonate
OPENEYE Name: sodium 2-(1,3-dioxoindan-2-yl)-4H-quinoline-1-sulfonate
IUPAC Name: sodium 2-(1,3-dioxoinden-2-yl)-4H-quinoline-1-sulfonate
SYSTEMATIC NAME: sodium 2-[1,3-bis(oxidanylidene)inden-2-yl]-4H-quinoline-1-sulfonate
MOLECULAR FORMULA: C18H12NNaO5S
MOLECULAR WEIGHT: 377.34635
SMILES: C1C=C(N(C2=CC=CC=C21)S(=O)(=O)[O-])C3C(=O)C4=CC=CC=C4C3=O.[Na+]
CAS RN: 125328-88-3
CAS Name: 1-[1-[1-[1-[1-(2-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-2-propanol
OPENEYE Name: 1-[1-methyl-2-[1-methyl-2-[1-methyl-2-[1-methyl-2-(2-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
IUPAC Name: 1-[1-[1-[1-[1-(2-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
SYSTEMATIC NAME: 1-[1-[1-[1-[1-(2-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
MOLECULAR FORMULA: C21H44O6
MOLECULAR WEIGHT: 392.57046
SMILES: CCCC(C)COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
CAS RN: 84045-66-9
CAS Name: trisodium 4-[(2Z)-2-[6-[[4-chloro-6-(4-methoxy-2-sulfonatoanilino)-1,3,5-triazin-2-yl]-methylamino]-1-oxo-3-sulfonato-2-naphthalenylidene]hydrazinyl]benzoate
OPENEYE Name: trisodium 4-[(2Z)-2-[6-[[4-chloro-6-(4-methoxy-2-sulfonato-anilino)-1,3,5-triazin-2-yl]-methyl-amino]-1-oxo-3-sulfonato-2-naphthylidene]hydrazino]benzoate
IUPAC Name: trisodium 4-[(2Z)-2-[6-[[4-chloro-6-(4-methoxy-2-sulfonatoanilino)-1,3,5-triazin-2-yl]-methylamino]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]benzoate
SYSTEMATIC NAME: trisodium 4-[(2Z)-2-[6-[[4-chloranyl-6-[(4-methoxy-2-sulfonato-phenyl)amino]-1,3,5-triazin-2-yl]-methyl-amino]-1-oxidanylidene-3-sulfonato-naphthalen-2-ylidene]hydrazinyl]benzoate
MOLECULAR FORMULA: C28H19ClN7Na3O10S2
MOLECULAR WEIGHT: 782.04367
SMILES: CN(C1=CC2=C(C=C1)C(=O)/C(=N/NC3=CC=C(C=C3)C(=O)[O-])/C(=C2)S(=O)(=O)[O-])C4=NC(=NC(=N4)NC5=C(C=C(C=C5)OC)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]
CAS RN: 9079-98-5
CAS Name: acetic acid ethenyl ester; 7,7-dimethyloctanoic acid ethenyl ester; ethene
OPENEYE Name: ethylene; vinyl acetate; vinyl 7,7-dimethyloctanoate
IUPAC Name: ethene; ethenyl acetate; ethenyl 7,7-dimethyloctanoate
SYSTEMATIC NAME: ethene; ethenyl 7,7-dimethyloctanoate; ethenyl ethanoate
MOLECULAR FORMULA: C18H32O4
MOLECULAR WEIGHT: 312.44428
SMILES: CC(=O)OC=C.CC(C)(C)CCCCCC(=O)OC=C.C=C
CAS RN: 85188-00-7
CAS Name: dihydrogen phosphate; [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium
OPENEYE Name: dihydrogen phosphate; [4-[[4-(dimethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium
IUPAC Name: dihydrogen phosphate; [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
SYSTEMATIC NAME: dihydrogen phosphate; [4-[[4-(dimethylamino)phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium
MOLECULAR FORMULA: C23H27N2O4P
MOLECULAR WEIGHT: 426.445241
SMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.OP(=O)(O)[O-]
CAS RN: 207136-99-0
CAS Name: furan-2,5-dione; 1-hexene; 1-propene
OPENEYE Name: furan-2,5-dione; hex-1-ene; prop-1-ene
IUPAC Name: furan-2,5-dione; hex-1-ene; prop-1-ene
SYSTEMATIC NAME: furan-2,5-dione; hex-1-ene; prop-1-ene
MOLECULAR FORMULA: C13H20O3
MOLECULAR WEIGHT: 224.2961
SMILES: CCCCC=C.CC=C.C1=CC(=O)OC1=O
CAS RN: 105614-86-6
CAS Name: dimethyl-bis(prop-2-enyl)ammonium; 2-propenamide; trimethyl-[2-(1-oxoprop-2-enoxy)ethyl]ammonium; dichloride
OPENEYE Name: diallyl(dimethyl)ammonium; prop-2-enamide; trimethyl(2-prop-2-enoyloxyethyl)ammonium; dichloride
IUPAC Name: dimethyl-bis(prop-2-enyl)azanium; prop-2-enamide; trimethyl(2-prop-2-enoyloxyethyl)azanium; dichloride
SYSTEMATIC NAME: dimethyl-bis(prop-2-enyl)azanium; prop-2-enamide; trimethyl(2-prop-2-enoyloxyethyl)azanium; dichloride
MOLECULAR FORMULA: C19H37Cl2N3O3
MOLECULAR WEIGHT: 426.42138
SMILES: C[N+](C)(C)CCOC(=O)C=C.C[N+](C)(CC=C)CC=C.C=CC(=O)N.[Cl-].[Cl-]
CAS RN: 94481-70-6
CAS Name: 4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enecarboxaldehyde
OPENEYE Name: 4,7,7-trimethylbicyclo[4.1.0]hept-4-ene-3-carbaldehyde
IUPAC Name: 4,7,7-trimethylbicyclo[4.1.0]hept-4-ene-3-carbaldehyde
SYSTEMATIC NAME: 4,7,7-trimethylbicyclo[4.1.0]hept-4-ene-3-carbaldehyde
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CC1=CC2C(C2(C)C)CC1C=O
CAS RN: 83763-45-5
CAS Name: sodium 7-amino-4-hydroxy-8-sulfo-2-naphthalenesulfonate
OPENEYE Name: sodium 7-amino-4-hydroxy-8-sulfo-naphthalene-2-sulfonate
IUPAC Name: sodium 7-amino-4-hydroxy-8-sulfonaphthalene-2-sulfonate
SYSTEMATIC NAME: sodium 7-azanyl-4-oxidanyl-8-sulfo-naphthalene-2-sulfonate
MOLECULAR FORMULA: C10H8NNaO7S2
MOLECULAR WEIGHT: 341.29279
SMILES: C1=CC(=C(C2=CC(=CC(=C21)O)S(=O)(=O)[O-])S(=O)(=O)O)N.[Na+]
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