CAS RN: 65588-71-8
CAS Name: N-(butoxymethyl)-2-propenamide; 2-methyl-2-propenoic acid; styrene
OPENEYE Name: N-(butoxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; styrene
IUPAC Name: N-(butoxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; styrene
SYSTEMATIC NAME: N-(butoxymethyl)prop-2-enamide; ethenylbenzene; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C20H29NO4
MOLECULAR WEIGHT: 347.44856
SMILES: CCCCOCNC(=O)C=C.CC(=C)C(=O)O.C=CC1=CC=CC=C1
Structure:
CAS RN: 65558-69-2
CAS Name: 3-imino-1-benzo[f]isoindolamine
OPENEYE Name: 3-iminobenzo[f]isoindol-1-amine
IUPAC Name: 3-iminobenzo[f]isoindol-1-amine
SYSTEMATIC NAME: 3-azanylidenebenzo[f]isoindol-1-amine
MOLECULAR FORMULA: C12H9N3
MOLECULAR WEIGHT: 195.21996
SMILES: C1=CC=C2C=C3C(=CC2=C1)C(=NC3=N)N
Structure:
CAS RN: 65530-74-7
CAS Name: 2-(2-hydroxyethylamino)ethanol; 3,3,3-trifluoropropyl dihydrogen phosphate
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; 3,3,3-trifluoropropyl dihydrogen phosphate
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; 3,3,3-trifluoropropyl dihydrogen phosphate
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; 3,3,3-tris(fluoranyl)propyl dihydrogen phosphate
MOLECULAR FORMULA: C7H17F3NO6P
MOLECULAR WEIGHT: 299.181951
SMILES: C(COP(=O)(O)O)C(F)(F)F.C(CO)NCCO
Structure:
CAS RN: 133525-13-0
CAS Name: 3-(3,3,3-trifluoropropylthio)propanoic acid
OPENEYE Name: 3-(3,3,3-trifluoropropylsulfanyl)propanoic acid
IUPAC Name: 3-(3,3,3-trifluoropropylsulfanyl)propanoic acid
SYSTEMATIC NAME: 3-[3,3,3-tris(fluoranyl)propylsulfanyl]propanoic acid
MOLECULAR FORMULA: C6H9F3O2S
MOLECULAR WEIGHT: 202.19467
SMILES: C(CSCCC(F)(F)F)C(=O)O
Structure:
CAS RN: 65530-83-8
CAS Name: 3-(3,3,3-trifluoropropylthio)propanoic acid
OPENEYE Name: 3-(3,3,3-trifluoropropylsulfanyl)propanoic acid
IUPAC Name: 3-(3,3,3-trifluoropropylsulfanyl)propanoic acid
SYSTEMATIC NAME: 3-[3,3,3-tris(fluoranyl)propylsulfanyl]propanoic acid
MOLECULAR FORMULA: C6H9F3O2S
MOLECULAR WEIGHT: 202.19467
SMILES: C(CSCCC(F)(F)F)C(=O)O
Structure:
CAS RN: 65530-64-5
CAS Name: bis(3,3,3-trifluoropropyl) hydrogen phosphate; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: bis(3,3,3-trifluoropropyl) hydrogen phosphate; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: bis(3,3,3-trifluoropropyl) hydrogen phosphate; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: bis[3,3,3-tris(fluoranyl)propyl] hydrogen phosphate; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C10H20F6NO6P
MOLECULAR WEIGHT: 395.23308
SMILES: C(COP(=O)(O)OCCC(F)(F)F)C(F)(F)F.C(CO)NCCO
Structure:
CAS RN: 65530-63-4
CAS Name: 2-(2-hydroxyethylamino)ethanol; 3,3,3-trifluoropropyl dihydrogen phosphate
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; 3,3,3-trifluoropropyl dihydrogen phosphate
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; 3,3,3-trifluoropropyl dihydrogen phosphate
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; 3,3,3-tris(fluoranyl)propyl dihydrogen phosphate
MOLECULAR FORMULA: C11H28F3N2O8P
MOLECULAR WEIGHT: 404.317591
SMILES: C(COP(=O)(O)O)C(F)(F)F.C(CO)NCCO.C(CO)NCCO
Structure:
CAS RN: 65530-62-3
CAS Name: bis(3,3,3-trifluoropropyl) hydrogen phosphate
OPENEYE Name: bis(3,3,3-trifluoropropyl) hydrogen phosphate
IUPAC Name: bis(3,3,3-trifluoropropyl) hydrogen phosphate
SYSTEMATIC NAME: bis[3,3,3-tris(fluoranyl)propyl] hydrogen phosphate
MOLECULAR FORMULA: C6H9F6O4P
MOLECULAR WEIGHT: 290.09744
SMILES: C(COP(=O)(O)OCCC(F)(F)F)C(F)(F)F
Structure:
CAS RN: 119655-66-2
CAS Name: 1-propan-2-yloxy-2-hexadecanol
OPENEYE Name: 1-isopropoxyhexadecan-2-ol
IUPAC Name: 1-propan-2-yloxyhexadecan-2-ol
SYSTEMATIC NAME: 1-propan-2-yloxyhexadecan-2-ol
MOLECULAR FORMULA: C19H40O2
MOLECULAR WEIGHT: 300.5197
SMILES: CCCCCCCCCCCCCCC(COC(C)C)O
Structure:
CAS RN: 119637-72-8
CAS Name: (3aR,5S,6S,6aR)-5-[(1S)-2-chloro-1-hydroxyethyl]-6-spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]ol
OPENEYE Name: (3aR,5S,6S,6aR)-5-[(1S)-2-chloro-1-hydroxy-ethyl]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-ol
IUPAC Name: (3aR,5S,6S,6aR)-5-[(1S)-2-chloro-1-hydroxyethyl]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-ol
SYSTEMATIC NAME: (3aR,5S,6S,6aR)-5-[(1S)-2-chloranyl-1-oxidanyl-ethyl]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-ol
MOLECULAR FORMULA: C12H19ClO5
MOLECULAR WEIGHT: 278.72926
SMILES: C1CCC2(CC1)O[C@@H]3[C@H]([C@H](O[C@@H]3O2)[C@@H](CCl)O)O
Structure:
CAS RN: 119708-39-3
CAS Name: 3-methoxy-5-tricosylphenol
OPENEYE Name: 3-methoxy-5-tricosyl-phenol
IUPAC Name: 3-methoxy-5-tricosylphenol
SYSTEMATIC NAME: 3-methoxy-5-tricosyl-phenol
MOLECULAR FORMULA: C30H54O2
MOLECULAR WEIGHT: 446.74856
SMILES: CCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)OC)O
Structure:
CAS RN: 58219-37-7
CAS Name: 4-methyl-2-pyrazin-4-iumcarboxamide iodide
OPENEYE Name: 4-methylpyrazin-4-ium-2-carboxamide iodide
IUPAC Name: 4-methylpyrazin-4-ium-2-carboxamide iodide
SYSTEMATIC NAME: 4-methylpyrazin-4-ium-2-carboxamide iodide
MOLECULAR FORMULA: C6H8IN3O
MOLECULAR WEIGHT: 265.05169
SMILES: C[N+]1=CC(=NC=C1)C(=O)N.[I-]
Structure:
CAS RN: 58211-94-2
CAS Name: 3-(1-methyl-5-nitro-2-imidazolyl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole
OPENEYE Name: 3-(1-methyl-5-nitro-imidazol-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole
IUPAC Name: 3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole
SYSTEMATIC NAME: 3-(1-methyl-5-nitro-imidazol-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole
MOLECULAR FORMULA: C13H18N4O3
MOLECULAR WEIGHT: 278.30702
SMILES: CN1C(=CN=C1C2=NOC3C2CCCCCC3)[N+](=O)[O-]
Structure:
CAS RN: 58197-53-8
CAS Name: cobalt(2+); 2-propenoate
OPENEYE Name: cobaltous prop-2-enoate
IUPAC Name: cobalt(2+); prop-2-enoate
SYSTEMATIC NAME: cobalt(2+); prop-2-enoate
MOLECULAR FORMULA: C6H6CoO4
MOLECULAR WEIGHT: 201.04264
SMILES: C=CC(=O)[O-].C=CC(=O)[O-].[Co+2]
Structure:
CAS RN: 58194-00-6
CAS Name: 2,3,3,3-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoyl fluoride
OPENEYE Name: 2,3,3,3-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoyl fluoride
IUPAC Name: 2,3,3,3-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoyl fluoride
SYSTEMATIC NAME: 2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3-hexakis(fluoranyl)-3-(trifluoromethyloxy)propoxy]propanoyl fluoride
MOLECULAR FORMULA: C7F14O3
MOLECULAR WEIGHT: 398.050745
SMILES: C(=O)(C(C(F)(F)F)(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F)F
Structure:
CAS RN: 58182-50-6
CAS Name: ethane-1,2-diol; furan-2,5-dione; 2-(2-hydroxyethoxy)ethanol; isobenzofuran-1,3-dione; propane-1,2-diol
OPENEYE Name: ethylene glycol; furan-2,5-dione; 2-(2-hydroxyethoxy)ethanol; isobenzofuran-1,3-dione; propane-1,2-diol
IUPAC Name: 2-benzofuran-1,3-dione; ethane-1,2-diol; furan-2,5-dione; 2-(2-hydroxyethoxy)ethanol; propane-1,2-diol
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; ethane-1,2-diol; furan-2,5-dione; 2-(2-hydroxyethyloxy)ethanol; propane-1,2-diol
MOLECULAR FORMULA: C21H30O13
MOLECULAR WEIGHT: 490.4551
SMILES: CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O.C(CO)O.C(COCCO)O
Structure:
CAS RN: 58180-53-3
CAS Name: butane-1,1-diol; butane-1,4-diol; hexanedioic acid; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
OPENEYE Name: adipic acid; butane-1,1-diol; butane-1,4-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
IUPAC Name: butane-1,1-diol; butane-1,4-diol; hexanedioic acid; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
SYSTEMATIC NAME: butane-1,1-diol; butane-1,4-diol; hexanedioic acid; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
MOLECULAR FORMULA: C29H40N2O10
MOLECULAR WEIGHT: 576.6353
SMILES: CCCC(O)O.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO
Structure:
CAS RN: 58144-61-9
CAS Name: (3-phenyl-4,5-dihydroisoxazol-5-yl)phosphonic acid
OPENEYE Name: (3-phenyl-4,5-dihydroisoxazol-5-yl)phosphonic acid
IUPAC Name: (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid
SYSTEMATIC NAME: (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid
MOLECULAR FORMULA: C9H10NO4P
MOLECULAR WEIGHT: 227.153761
SMILES: C1C(ON=C1C2=CC=CC=C2)P(=O)(O)O
Structure:
CAS RN: 58139-23-4
CAS Name: (2R)-2-hydroxy-2-(2-methylpropyl)butanedioic acid bis[[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]methyl] ester
OPENEYE Name: bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-isobutyl-butanedioate
IUPAC Name: bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-(2-methylpropyl)butanedioate
SYSTEMATIC NAME: bis[[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-(2-methylpropyl)-2-oxidanyl-butanedioate
MOLECULAR FORMULA: C34H46O17
MOLECULAR WEIGHT: 726.71884
SMILES: CC(C)C[C@@](CC(=O)OCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C(=O)OCC3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Structure:
CAS RN: 58138-24-2
CAS Name: 4-[3-(1-piperazinyl)-1-isoquinolinyl]-1,4-thiazinane 1-oxide
OPENEYE Name: 4-(3-piperazin-1-yl-1-isoquinolyl)-1,4-thiazinane 1-oxide
IUPAC Name: 4-(3-piperazin-1-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide
SYSTEMATIC NAME: 4-(3-piperazin-1-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide
MOLECULAR FORMULA: C17H22N4OS
MOLECULAR WEIGHT: 330.44778
SMILES: C1CN(CCN1)C2=CC3=CC=CC=C3C(=N2)N4CCS(=O)CC4
Structure:
CAS RN: 12226-77-6
CAS Name: 3-methyl-N-[4-[[4-(3-methylanilino)phenyl]-[4-(3-methylphenyl)imino-1-cyclohexa-2,5-dienylidene]methyl]phenyl]aniline
OPENEYE Name: 3-methyl-N-[4-[[4-(3-methylanilino)phenyl]-[4-(m-tolylimino)cyclohexa-2,5-dien-1-ylidene]methyl]phenyl]aniline
IUPAC Name: 3-methyl-N-[4-[[4-(3-methylanilino)phenyl]-[4-(3-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]phenyl]aniline
SYSTEMATIC NAME: 3-methyl-N-[4-[[4-[(3-methylphenyl)amino]phenyl]-[4-(3-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]phenyl]aniline
MOLECULAR FORMULA: C40H35N3
MOLECULAR WEIGHT: 557.726
SMILES: CC1=CC(=CC=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC=CC(=C4)C)C=C3)C5=CC=C(C=C5)NC6=CC=CC(=C6)C
Structure:
CAS RN: 58104-34-0
CAS Name: 3-methyl-N-[4-[[4-(3-methylanilino)phenyl]-[4-(3-methylphenyl)imino-1-cyclohexa-2,5-dienylidene]methyl]phenyl]aniline
OPENEYE Name: 3-methyl-N-[4-[[4-(3-methylanilino)phenyl]-[4-(m-tolylimino)cyclohexa-2,5-dien-1-ylidene]methyl]phenyl]aniline
IUPAC Name: 3-methyl-N-[4-[[4-(3-methylanilino)phenyl]-[4-(3-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]phenyl]aniline
SYSTEMATIC NAME: 3-methyl-N-[4-[[4-[(3-methylphenyl)amino]phenyl]-[4-(3-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]phenyl]aniline
MOLECULAR FORMULA: C40H35N3
MOLECULAR WEIGHT: 557.726
SMILES: CC1=CC(=CC=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC=CC(=C4)C)C=C3)C5=CC=C(C=C5)NC6=CC=CC(=C6)C
Structure:
CAS RN: 58090-96-3
CAS Name: 4-methyl-2-methylenepentanoic acid; 2-propenoic acid; 2-propenoic acid butyl ester
OPENEYE Name: acrylic acid; butyl prop-2-enoate; 4-methyl-2-methylene-pentanoic acid
IUPAC Name: butyl prop-2-enoate; 4-methyl-2-methylidenepentanoic acid; prop-2-enoic acid
SYSTEMATIC NAME: butyl prop-2-enoate; 4-methyl-2-methylidene-pentanoic acid; prop-2-enoic acid
MOLECULAR FORMULA: C17H28O6
MOLECULAR WEIGHT: 328.40062
SMILES: CCCCOC(=O)C=C.CC(C)CC(=C)C(=O)O.C=CC(=O)O
Structure:
CAS RN: 58090-64-5
CAS Name: acetic acid [(2S,3S,5S,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2,16-bis(1-methyl-1-piperidin-1-iumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester dibromide
OPENEYE Name: [(2S,3S,5S,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide
IUPAC Name: [(2S,3S,5S,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide
SYSTEMATIC NAME: [(2S,3S,5S,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate dibromide
MOLECULAR FORMULA: C33H58Br2N2O2
MOLECULAR WEIGHT: 674.63382
SMILES: CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H](C5)[N+]6(CCCCC6)C)C.[Br-].[Br-]
Structure:
CAS RN: 59787-86-9
CAS Name: acetic acid [(2S,3S,5S,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2,16-bis(1-methyl-1-piperidin-1-iumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester dibromide
OPENEYE Name: [(2S,3S,5S,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide
IUPAC Name: [(2S,3S,5S,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide
SYSTEMATIC NAME: [(2S,3S,5S,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate dibromide
MOLECULAR FORMULA: C33H58Br2N2O2
MOLECULAR WEIGHT: 674.63382
SMILES: CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H](C5)[N+]6(CCCCC6)C)C.[Br-].[Br-]
Structure:
CAS RN: 58086-67-2
CAS Name: 2-fluoro-1-methylpyridin-1-ium; 4-methylbenzenesulfonate
OPENEYE Name: 2-fluoro-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate
IUPAC Name: 2-fluoro-1-methylpyridin-1-ium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 2-fluoranyl-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C13H14FNO3S
MOLECULAR WEIGHT: 283.318563
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1F
Structure:
CAS RN: 58067-89-3
CAS Name: N-(butoxymethyl)-2-propenamide; 2-(dimethylamino)ethanol; 2-propenoic acid; 2-propenoic acid ethyl ester; styrene
OPENEYE Name: acrylic acid; N-(butoxymethyl)prop-2-enamide; 2-(dimethylamino)ethanol; ethyl prop-2-enoate; styrene
IUPAC Name: N-(butoxymethyl)prop-2-enamide; 2-(dimethylamino)ethanol; ethyl prop-2-enoate; prop-2-enoic acid; styrene
SYSTEMATIC NAME: N-(butoxymethyl)prop-2-enamide; 2-(dimethylamino)ethanol; ethenylbenzene; ethyl prop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C28H46N2O7
MOLECULAR WEIGHT: 522.67404
SMILES: CCCCOCNC(=O)C=C.CCOC(=O)C=C.CN(C)CCO.C=CC1=CC=CC=C1.C=CC(=O)O
Structure:
CAS RN: 58064-76-9
CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]benzenediazonium chloride
OPENEYE Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]benzenediazonium chloride
IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]benzenediazonium chloride
SYSTEMATIC NAME: 4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]benzenediazonium chloride
MOLECULAR FORMULA: C12H12ClN5O2S
MOLECULAR WEIGHT: 325.77398
SMILES: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)[N+]#N)C.[Cl-]
Structure:
CAS RN: 58050-75-2
CAS Name: 2-methyloxirane; oxirane; 2-propenenitrile; styrene
OPENEYE Name: 2-methyloxirane; oxirane; prop-2-enenitrile; styrene
IUPAC Name: 2-methyloxirane; oxirane; prop-2-enenitrile; styrene
SYSTEMATIC NAME: ethenylbenzene; 2-methyloxirane; oxirane; prop-2-enenitrile
MOLECULAR FORMULA: C16H21NO2
MOLECULAR WEIGHT: 259.34344
SMILES: CC1CO1.C=CC#N.C=CC1=CC=CC=C1.C1CO1
Structure:
CAS RN: 58043-05-3
CAS Name: 3-(aminomethyl)-3,5,5-trimethyl-1-cyclohexanamine; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
OPENEYE Name: adipic acid; 3-(aminomethyl)-3,5,5-trimethyl-cyclohexanamine; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
IUPAC Name: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
SYSTEMATIC NAME: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
MOLECULAR FORMULA: C39H76N4O10
MOLECULAR WEIGHT: 761.04154
SMILES: CC1(CC(CC(C1)(C)CN)N)C.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.CC(C)(CO)CO.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 57991-36-3
CAS Name: 2-[[oxo-(3-phenoxyphenyl)methyl]amino]acetic acid
OPENEYE Name: 2-[(3-phenoxybenzoyl)amino]acetic acid
IUPAC Name: 2-[(3-phenoxybenzoyl)amino]acetic acid
SYSTEMATIC NAME: 2-[(3-phenoxyphenyl)carbonylamino]ethanoic acid
MOLECULAR FORMULA: C15H13NO4
MOLECULAR WEIGHT: 271.26802
SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NCC(=O)O
Structure:
CAS RN: 57973-63-4
CAS Name: 2,2-dimethylpropanoic acid [2-[(6S,8S,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester; 2-hydroxybenzoic acid
OPENEYE Name: [2-[(6S,8S,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2,2-dimethylpropanoate; 2-hydroxybenzoic acid
IUPAC Name: [2-[(6S,8S,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate; 2-hydroxybenzoic acid
SYSTEMATIC NAME: [2-[(6S,8S,10S,11S,13S,14S,16R,17R)-6,9-bis(fluoranyl)-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 2,2-dimethylpropanoate; 2-oxidanylbenzoic acid
MOLECULAR FORMULA: C34H42F2O9
MOLECULAR WEIGHT: 632.688686
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C)F.C1=CC=C(C(=C1)C(=O)O)O
Structure:
CAS RN: 57913-80-1
CAS Name: 2-methyloxirane; oxirane; propane-1,2,3-triol; 2-propenenitrile; styrene; trihydrate
OPENEYE Name: glycerol; 2-methyloxirane; oxirane; prop-2-enenitrile; styrene; trihydrate
IUPAC Name: 2-methyloxirane; oxirane; propane-1,2,3-triol; prop-2-enenitrile; styrene; trihydrate
SYSTEMATIC NAME: ethenylbenzene; 2-methyloxirane; oxirane; propane-1,2,3-triol; prop-2-enenitrile; trihydrate
MOLECULAR FORMULA: C29H55NO13
MOLECULAR WEIGHT: 625.7459
SMILES: CC1CO1.C=CC#N.C=CC1=CC=CC=C1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C(C(CO)O)O.O.O.O
Structure:
CAS RN: 57876-47-8
CAS Name: 2-methyl-2-propenoic acid 2-hydroxypropyl ester; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid butyl ester
OPENEYE Name: butyl prop-2-enoate; 2-hydroxypropyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
IUPAC Name: butyl prop-2-enoate; 2-hydroxypropyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
SYSTEMATIC NAME: butyl prop-2-enoate; methyl 2-methylprop-2-enoate; 2-oxidanylpropyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C19H32O7
MOLECULAR WEIGHT: 372.45318
SMILES: CCCCOC(=O)C=C.CC(COC(=O)C(=C)C)O.CC(=C)C(=O)OC
Structure:
CAS RN: 57863-50-0
CAS Name: N-(hydroxymethyl)-2-propenamide; 2-propenamide; 2-propenoic acid; 2-propenoic acid ethyl ester
OPENEYE Name: acrylic acid; ethyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; prop-2-enamide
IUPAC Name: ethyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; prop-2-enamide; prop-2-enoic acid
SYSTEMATIC NAME: ethyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; prop-2-enamide; prop-2-enoic acid
MOLECULAR FORMULA: C15H24N2O7
MOLECULAR WEIGHT: 344.36026
SMILES: CCOC(=O)C=C.C=CC(=O)N.C=CC(=O)NCO.C=CC(=O)O
Structure:
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