CAS RN: 102962-54-9
CAS Name: ammonia; 1-ethoxybutane; furan-2,5-dione; styrene
OPENEYE Name: ammonia; 1-ethoxybutane; furan-2,5-dione; styrene
IUPAC Name: azane; 1-ethoxybutane; furan-2,5-dione; styrene
SYSTEMATIC NAME: azane; ethenylbenzene; 1-ethoxybutane; furan-2,5-dione
MOLECULAR FORMULA: C18H27NO4
MOLECULAR WEIGHT: 321.41128
SMILES: CCCCOCC.C=CC1=CC=CC=C1.C1=CC(=O)OC1=O.N
Structure:
CAS RN: 68890-80-2
CAS Name: ammonia; 1-ethoxybutane; furan-2,5-dione; styrene
OPENEYE Name: ammonia; 1-ethoxybutane; furan-2,5-dione; styrene
IUPAC Name: azane; 1-ethoxybutane; furan-2,5-dione; styrene
SYSTEMATIC NAME: azane; ethenylbenzene; 1-ethoxybutane; furan-2,5-dione
MOLECULAR FORMULA: C18H27NO4
MOLECULAR WEIGHT: 321.41128
SMILES: CCCCOCC.C=CC1=CC=CC=C1.C1=CC(=O)OC1=O.N
Structure:
CAS RN: 70431-49-1
CAS Name: ammonia; 1-ethoxybutane; furan-2,5-dione; styrene
OPENEYE Name: ammonia; 1-ethoxybutane; furan-2,5-dione; styrene
IUPAC Name: azane; 1-ethoxybutane; furan-2,5-dione; styrene
SYSTEMATIC NAME: azane; ethenylbenzene; 1-ethoxybutane; furan-2,5-dione
MOLECULAR FORMULA: C18H27NO4
MOLECULAR WEIGHT: 321.41128
SMILES: CCCCOCC.C=CC1=CC=CC=C1.C1=CC(=O)OC1=O.N
Structure:
CAS RN: 70595-20-9
CAS Name: ammonia; 1-ethoxybutane; furan-2,5-dione; styrene
OPENEYE Name: ammonia; 1-ethoxybutane; furan-2,5-dione; styrene
IUPAC Name: azane; 1-ethoxybutane; furan-2,5-dione; styrene
SYSTEMATIC NAME: azane; ethenylbenzene; 1-ethoxybutane; furan-2,5-dione
MOLECULAR FORMULA: C18H27NO4
MOLECULAR WEIGHT: 321.41128
SMILES: CCCCOCC.C=CC1=CC=CC=C1.C1=CC(=O)OC1=O.N
Structure:
CAS RN: 68889-71-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H22N2
MOLECULAR WEIGHT: 194.31648
SMILES: C1CC2CC1C3C2C(C(C3)CN)CN
Structure:
CAS RN: 68887-67-2
CAS Name: 7-(1-imidazolyl)heptanoic acid
OPENEYE Name: 7-imidazol-1-ylheptanoic acid
IUPAC Name: 7-imidazol-1-ylheptanoic acid
SYSTEMATIC NAME: 7-imidazol-1-ylheptanoic acid
MOLECULAR FORMULA: C10H16N2O2
MOLECULAR WEIGHT: 196.24624
SMILES: C1=CN(C=N1)CCCCCCC(=O)O
Structure:
CAS RN: 68877-68-9
CAS Name: 7,7-dimethyl-2-(2-oxiranylmethyl)octanoic acid; 1,3-dioxo-5-isobenzofurancarboxylic acid; hexanedioic acid; isobenzofuran-1,3-dione; propane-1,2-diol
OPENEYE Name: adipic acid; 7,7-dimethyl-2-(oxiran-2-ylmethyl)octanoic acid; 1,3-dioxoisobenzofuran-5-carboxylic acid; isobenzofuran-1,3-dione; propane-1,2-diol
IUPAC Name: 2-benzofuran-1,3-dione; 7,7-dimethyl-2-(oxiran-2-ylmethyl)octanoic acid; 1,3-dioxo-2-benzofuran-5-carboxylic acid; hexanedioic acid; propane-1,2-diol
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; 7,7-dimethyl-2-(oxiran-2-ylmethyl)octanoic acid; hexanedioic acid; propane-1,2-diol
MOLECULAR FORMULA: C39H50O17
MOLECULAR WEIGHT: 790.8041
SMILES: CC(CO)O.CC(C)(C)CCCCC(CC1CO1)C(=O)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 68877-32-7
CAS Name: 2-methylbuta-1,3-diene; 2-methyl-2-propenoic acid 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl ester; 2-methyl-2-propenoic acid 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl ester; 2-methyl-2-propeno
OPENEYE Name: 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl 2-methylprop-2-enoate; 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl 2-methylprop-2-enoate; 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsu
IUPAC Name: 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl 2-methylprop-2-enoate; 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl 2-methylprop-2-enoate; 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsu
SYSTEMATIC NAME: 2-[ethyl-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfonyl]amino]ethyl 2-methylprop-2-enoate; 2-[ethyl-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butylsulfonyl]amino]ethyl 2-methylprop-2-enoate; 2-[ethyl-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pent
MOLECULAR FORMULA: C75H78F65N5O20S5
MOLECULAR WEIGHT: 2764.664528
SMILES: CCN(CCOC(=O)C(=C)C)S(=O)(=O)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.CCN(CCOC(=O)C(=C)C)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.CCN(CCOC(=O)C(=C)C)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.CCN(CCOC(=O)C(=C)C
Structure:
CAS RN: 68877-31-6
CAS Name: 2-(2-methyl-1-oxoprop-2-enoxy)ethanesulfonic acid; 2-methyl-2-propenoic acid butyl ester; 2-methyl-2-propenoic acid methyl ester; 2-methyl-2-propenoic acid 2-methylpropyl ester
OPENEYE Name: butyl 2-methylprop-2-enoate; isobutyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-(2-methylprop-2-enoyloxy)ethanesulfonic acid
IUPAC Name: butyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-(2-methylprop-2-enoyloxy)ethanesulfonic acid; 2-methylpropyl 2-methylprop-2-enoate
SYSTEMATIC NAME: butyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-(2-methylprop-2-enoyloxy)ethanesulfonic acid; 2-methylpropyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C27H46O11S
MOLECULAR WEIGHT: 578.71254
SMILES: CCCCOC(=O)C(=C)C.CC(C)COC(=O)C(=C)C.CC(=C)C(=O)OC.CC(=C)C(=O)OCCS(=O)(=O)O
Structure:
CAS RN: 68877-28-1
CAS Name: 1-[(2-dodecylphenyl)methyl]quinolin-1-ium
OPENEYE Name: 1-[(2-dodecylphenyl)methyl]quinolin-1-ium
IUPAC Name: 1-[(2-dodecylphenyl)methyl]quinolin-1-ium
SYSTEMATIC NAME: 1-[(2-dodecylphenyl)methyl]quinolin-1-ium
MOLECULAR FORMULA: C28H38N+
MOLECULAR WEIGHT: 388.60802
SMILES: CCCCCCCCCCCCC1=CC=CC=C1C[N+]2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 68876-89-1
CAS Name: bis(2-methylpropyl)alumane; 2-methyl-1-propanol; titanium(4+); tetrachloride
OPENEYE Name: diisobutylalumane; 2-methylpropan-1-ol; titanium(4+); tetrachloride
IUPAC Name: bis(2-methylpropyl)alumane; 2-methylpropan-1-ol; titanium(4+); tetrachloride
SYSTEMATIC NAME: bis(2-methylpropyl)alumane; 2-methylpropan-1-ol; titanium(4+); tetrachloride
MOLECULAR FORMULA: C12H29AlCl4OTi
MOLECULAR WEIGHT: 406.018598
SMILES: CC(C)CO.CC(C)C[AlH]CC(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
Structure:
CAS RN: 68867-75-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H34O10
MOLECULAR WEIGHT: 458.49936
SMILES: C1C=CC2C1C3CC2C=C3.C1=CC(=O)OC1=O.C(C(CO)O)O.C(C(CO)(CO)CO)O
Structure:
CAS RN: 52404-83-8
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; pentanedioic acid dimethyl ester
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; dimethyl pentanedioate
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; dimethyl pentanedioate
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; dimethyl pentanedioate
MOLECULAR FORMULA: C14H30ClN3O5
MOLECULAR WEIGHT: 355.8581
SMILES: COC(=O)CCCC(=O)OC.C1C(O1)CCl.C(CNCCN)N
Structure:
CAS RN: 52847-52-6
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; pentanedioic acid dimethyl ester
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; dimethyl pentanedioate
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; dimethyl pentanedioate
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; dimethyl pentanedioate
MOLECULAR FORMULA: C14H30ClN3O5
MOLECULAR WEIGHT: 355.8581
SMILES: COC(=O)CCCC(=O)OC.C1C(O1)CCl.C(CNCCN)N
Structure:
CAS RN: 68867-69-6
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; pentanedioic acid dimethyl ester
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; dimethyl pentanedioate
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; dimethyl pentanedioate
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; dimethyl pentanedioate
MOLECULAR FORMULA: C14H30ClN3O5
MOLECULAR WEIGHT: 355.8581
SMILES: COC(=O)CCCC(=O)OC.C1C(O1)CCl.C(CNCCN)N
Structure:
CAS RN: 68867-57-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H26O
MOLECULAR WEIGHT: 246.38774
SMILES: CC1CCC23CC1C(C2C(C=C3C)C(=O)C)(C)C
Structure:
CAS RN: 68856-22-4
CAS Name: benzene-1,3-dicarboxylic acid; benzoic acid 2,2-bis(hydroxymethyl)butyl ester; hexanedioic acid; pentane-1,5-diol
OPENEYE Name: adipic acid; 2,2-bis(hydroxymethyl)butyl benzoate; isophthalic acid; pentane-1,5-diol
IUPAC Name: benzene-1,3-dicarboxylic acid; 2,2-bis(hydroxymethyl)butyl benzoate; hexanedioic acid; pentane-1,5-diol
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; 2,2-bis(hydroxymethyl)butyl benzoate; hexanedioic acid; pentane-1,5-diol
MOLECULAR FORMULA: C32H46O14
MOLECULAR WEIGHT: 654.69924
SMILES: CCC(CO)(CO)COC(=O)C1=CC=CC=C1.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCO)CCO.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 68855-37-8
CAS Name: formaldehyde; 1-methyl-4-(1-methylethenyl)cyclohexene
OPENEYE Name: formaldehyde; 4-isopropenyl-1-methyl-cyclohexene
IUPAC Name: formaldehyde; 1-methyl-4-prop-1-en-2-ylcyclohexene
SYSTEMATIC NAME: methanal; 1-methyl-4-prop-1-en-2-yl-cyclohexene
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CC1=CCC(CC1)C(=C)C.C=O
Structure:
CAS RN: 68855-35-6
CAS Name: 2-dodecylphenol; formaldehyde; methanamine
OPENEYE Name: 2-dodecylphenol; formaldehyde; methanamine
IUPAC Name: 2-dodecylphenol; formaldehyde; methanamine
SYSTEMATIC NAME: 2-dodecylphenol; methanal; methanamine
MOLECULAR FORMULA: C20H37NO2
MOLECULAR WEIGHT: 323.51328
SMILES: CCCCCCCCCCCCC1=CC=CC=C1O.CN.C=O
Structure:
CAS RN: 68855-33-4
CAS Name: 2-(2-hydroxyethylamino)ethanol; sulfane
OPENEYE Name: hydrogen sulfide; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; sulfane
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; sulfane
MOLECULAR FORMULA: C4H13NO2S
MOLECULAR WEIGHT: 139.21652
SMILES: C(CO)NCCO.S
Structure:
CAS RN: 68855-28-7
CAS Name: triammonium zinc [2-[[imino(sulfido)methyl]thio]ethylthio]methanimidothioate hydroxide sulfate
OPENEYE Name: triammonium zinc 2-(sulfidocarbonimidoyl)sulfanylethylsulfanylmethanimidothioate hydroxide sulfate
IUPAC Name: triazanium zinc 2-(C-sulfidocarbonimidoyl)sulfanylethylsulfanylmethanimidothioate hydroxide sulfate
SYSTEMATIC NAME: triazanium zinc 2-(C-sulfanidylcarbonimidoyl)sulfanylethylsulfanylmethanimidothioate hydroxide sulfate
MOLECULAR FORMULA: C4H19N5O5S5Zn
MOLECULAR WEIGHT: 442.95816
SMILES: C(CSC(=N)[S-])SC(=N)[S-].[NH4+].[NH4+].[NH4+].[OH-].[O-]S(=O)(=O)[O-].[Zn+2]
Structure:
CAS RN: 68855-23-2
CAS Name: 3-[(2-amino-3-chlorophenyl)methyl]-2-chloroaniline; 2-[(2-aminophenyl)methyl]aniline; 1,3-diisocyanato-2-methylbenzene
OPENEYE Name: 3-[(2-amino-3-chloro-phenyl)methyl]-2-chloro-aniline; 2-[(2-aminophenyl)methyl]aniline; 1,3-diisocyanato-2-methyl-benzene
IUPAC Name: 3-[(2-amino-3-chlorophenyl)methyl]-2-chloroaniline; 2-[(2-aminophenyl)methyl]aniline; 1,3-diisocyanato-2-methylbenzene
SYSTEMATIC NAME: 2-[(2-aminophenyl)methyl]aniline; 3-[(2-azanyl-3-chloranyl-phenyl)methyl]-2-chloranyl-aniline; 1,3-diisocyanato-2-methyl-benzene
MOLECULAR FORMULA: C35H32Cl2N6O2
MOLECULAR WEIGHT: 639.57358
SMILES: CC1=C(C=CC=C1N=C=O)N=C=O.C1=CC=C(C(=C1)CC2=CC=CC=C2N)N.C1=CC(=C(C(=C1)N)Cl)CC2=C(C(=CC=C2)Cl)N
Structure:
CAS RN: 68855-22-1
CAS Name: 4-[(4-aminophenyl)methyl]aniline; 2-(butoxymethyl)oxirane
OPENEYE Name: 4-[(4-aminophenyl)methyl]aniline; 2-(butoxymethyl)oxirane
IUPAC Name: 4-[(4-aminophenyl)methyl]aniline; 2-(butoxymethyl)oxirane
SYSTEMATIC NAME: 4-[(4-aminophenyl)methyl]aniline; 2-(butoxymethyl)oxirane
MOLECULAR FORMULA: C20H28N2O2
MOLECULAR WEIGHT: 328.44852
SMILES: CCCCOCC1CO1.C1=CC(=CC=C1CC2=CC=C(C=C2)N)N
Structure:
CAS RN: 219824-65-4
CAS Name: 2-ethyloxirane; 1-octanol; oxirane
OPENEYE Name: 2-ethyloxirane; octan-1-ol; oxirane
IUPAC Name: 2-ethyloxirane; octan-1-ol; oxirane
SYSTEMATIC NAME: 2-ethyloxirane; octan-1-ol; oxirane
MOLECULAR FORMULA: C14H30O3
MOLECULAR WEIGHT: 246.3862
SMILES: CCCCCCCCO.CCC1CO1.C1CO1
Structure:
CAS RN: 68855-10-7
CAS Name: 2-ethyloxirane; 1-octanol; oxirane
OPENEYE Name: 2-ethyloxirane; octan-1-ol; oxirane
IUPAC Name: 2-ethyloxirane; octan-1-ol; oxirane
SYSTEMATIC NAME: 2-ethyloxirane; octan-1-ol; oxirane
MOLECULAR FORMULA: C14H30O3
MOLECULAR WEIGHT: 246.3862
SMILES: CCCCCCCCO.CCC1CO1.C1CO1
Structure:
CAS RN: 68845-38-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H19MoN3O2P-
MOLECULAR WEIGHT: 460.297521
SMILES: CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.[O-]P=O.[Mo]
Structure:
CAS RN: 68845-20-5
CAS Name: 2-[[4-[2-[4-(2-oxiranylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane; 2,2,4-trimethylhexane-1,6-diamine
OPENEYE Name: 2-[[4-[1-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane; 2,2,4-trimethylhexane-1,6-diamine
IUPAC Name: 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane; 2,2,4-trimethylhexane-1,6-diamine
SYSTEMATIC NAME: 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane; 2,2,4-trimethylhexane-1,6-diamine
MOLECULAR FORMULA: C30H46N2O4
MOLECULAR WEIGHT: 498.69724
SMILES: CC(CCN)CC(C)(C)CN.CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4
Structure:
CAS RN: 68845-15-8
CAS Name: 1-amino-N-[5-[[(1-amino-9,10-dioxo-2-anthracenyl)-oxomethyl]amino]-9,10-dioxo-1-anthracenyl]-9,10-dioxo-2-anthracenecarboxamide
OPENEYE Name: 1-amino-N-[5-[(1-amino-9,10-dioxo-anthracene-2-carbonyl)amino]-9,10-dioxo-1-anthryl]-9,10-dioxo-anthracene-2-carboxamide
IUPAC Name: 1-amino-N-[5-[(1-amino-9,10-dioxoanthracene-2-carbonyl)amino]-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracene-2-carboxamide
SYSTEMATIC NAME: 1-azanyl-N-[5-[[1-azanyl-9,10-bis(oxidanylidene)anthracen-2-yl]carbonylamino]-9,10-bis(oxidanylidene)anthracen-1-yl]-9,10-bis(oxidanylidene)anthracene-2-carboxamide
MOLECULAR FORMULA: C44H24N4O8
MOLECULAR WEIGHT: 736.68336
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)NC4=CC=CC5=C4C(=O)C6=C(C5=O)C(=CC=C6)NC(=O)C7=C(C8=C(C=C7)C(=O)C9=CC=CC=C9C8=O)N)N
Structure:
CAS RN: 68845-12-5
CAS Name: 1-[2-methyl-6-[[oxo-(3-triethoxysilylpropylamino)methyl]amino]phenyl]-3-(3-triethoxysilylpropyl)urea
OPENEYE Name: 1-[2-methyl-6-(3-triethoxysilylpropylcarbamoylamino)phenyl]-3-(3-triethoxysilylpropyl)urea
IUPAC Name: 1-[2-methyl-6-(3-triethoxysilylpropylcarbamoylamino)phenyl]-3-(3-triethoxysilylpropyl)urea
SYSTEMATIC NAME: 1-[2-methyl-6-(3-triethoxysilylpropylcarbamoylamino)phenyl]-3-(3-triethoxysilylpropyl)urea
MOLECULAR FORMULA: C27H52N4O8Si2
MOLECULAR WEIGHT: 616.89478
SMILES: CCO[Si](CCCNC(=O)NC1=CC=CC(=C1NC(=O)NCCC[Si](OCC)(OCC)OCC)C)(OCC)OCC
Structure:
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