CAS RN: 117548-31-9
CAS Name: 2-[[4-[2-[4-(2-oxiranylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane; 2-(1-piperazinyl)ethanamine
OPENEYE Name: 2-[[4-[1-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane; 2-piperazin-1-ylethanamine
IUPAC Name: 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane; 2-piperazin-1-ylethanamine
SYSTEMATIC NAME: 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane; 2-piperazin-1-ylethanamine
MOLECULAR FORMULA: C27H39N3O4
MOLECULAR WEIGHT: 469.61626
SMILES: CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4.C1CN(CCN1)CCN
Structure:
CAS RN: 70776-37-3
CAS Name: 2-[[4-[2-[4-(2-oxiranylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane; 2-(1-piperazinyl)ethanamine
OPENEYE Name: 2-[[4-[1-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane; 2-piperazin-1-ylethanamine
IUPAC Name: 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane; 2-piperazin-1-ylethanamine
SYSTEMATIC NAME: 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane; 2-piperazin-1-ylethanamine
MOLECULAR FORMULA: C27H39N3O4
MOLECULAR WEIGHT: 469.61626
SMILES: CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4.C1CN(CCN1)CCN
Structure:
CAS RN: 70776-36-2
CAS Name: 1,1-dichloroethene; N-(hydroxymethyl)-2-propenamide; 2-methyl-2-propenoic acid octadecyl ester; 2-propenoic acid 2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]ethyl ester; 2-propenoic acid 2-[methyl(1,1,2,2,3,3,4,4,4-nonaf
OPENEYE Name: 1,1-dichloroethylene; 2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]ethyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; 2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl prop-2-enoate; 2-[methyl(1,1,2,2,3,3
IUPAC Name: 1,1-dichloroethene; 2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]ethyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; 2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl prop-2-enoate; 2-[methyl(1,1,2,2,3,3,4
SYSTEMATIC NAME: 1,1-bis(chloranyl)ethene; 2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfonyl-methyl-amino]ethyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; 2-[methyl-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butylsulfonyl]amino]ethyl prop-2-enoate;
MOLECULAR FORMULA: C88H101Cl2F65N6O24S5
MOLECULAR WEIGHT: 3092.896548
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C.CN(CCOC(=O)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.CN(CCOC(=O)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.CN(CCOC(=O)C=C)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 70776-30-6
CAS Name: 2-nonylphenol; 2-(1-piperazinyl)ethanamine
OPENEYE Name: 2-nonylphenol; 2-piperazin-1-ylethanamine
IUPAC Name: 2-nonylphenol; 2-piperazin-1-ylethanamine
SYSTEMATIC NAME: 2-nonylphenol; 2-piperazin-1-ylethanamine
MOLECULAR FORMULA: C21H39N3O
MOLECULAR WEIGHT: 349.55386
SMILES: CCCCCCCCCC1=CC=CC=C1O.C1CN(CCN1)CCN
Structure:
CAS RN: 70776-28-2
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 6-methyl-2-[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)azo]phenyl]-1,3-benzothiazole-7-sulfonic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 6-methyl-2-[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)azo]phenyl]-1,3-benzothiazole-7-sulfonic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 6-methyl-2-[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 6-methyl-2-[4-[(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid
MOLECULAR FORMULA: C24H30N6O7S2
MOLECULAR WEIGHT: 578.661
SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=NNC4=O)C)S(=O)(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 70775-82-5
CAS Name: hexanedioic acid; 2-methylnonane; propane-1,2-diol
OPENEYE Name: adipic acid; 2-methylnonane; propane-1,2-diol
IUPAC Name: hexanedioic acid; 2-methylnonane; propane-1,2-diol
SYSTEMATIC NAME: hexanedioic acid; 2-methylnonane; propane-1,2-diol
MOLECULAR FORMULA: C19H40O6
MOLECULAR WEIGHT: 364.5173
SMILES: CCCCCCCC(C)C.CC(CO)O.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 94167-19-8
CAS Name: hexanedioic acid; 2-methylnonane; propane-1,2-diol
OPENEYE Name: adipic acid; 2-methylnonane; propane-1,2-diol
IUPAC Name: hexanedioic acid; 2-methylnonane; propane-1,2-diol
SYSTEMATIC NAME: hexanedioic acid; 2-methylnonane; propane-1,2-diol
MOLECULAR FORMULA: C19H40O6
MOLECULAR WEIGHT: 364.5173
SMILES: CCCCCCCC(C)C.CC(CO)O.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 70754-23-3
CAS Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-carboxy-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phosphonooxypropyl]amino]-1-oxoethyl]
OPENEYE Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-carboxy-propanoyl]amino]propanoyl]amino]-3-phosphonooxy-propanoyl]amino]acetyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-phosphonooxypropanoyl]amino]acetyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]ethanoylamino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-3-phosphonooxy-propanoyl]amino]ethanoylamino]penta
MOLECULAR FORMULA: C35H49N10O18P
MOLECULAR WEIGHT: 928.793521
SMILES: C[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](COP(=O)(O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N
Structure:
CAS RN: 70750-60-6
CAS Name: 4-tert-butylphenol; formaldehyde; phenol; 4-(2,4,4-trimethylpentan-2-yl)phenol
OPENEYE Name: 4-tert-butylphenol; formaldehyde; phenol; 4-(1,1,3,3-tetramethylbutyl)phenol
IUPAC Name: 4-tert-butylphenol; formaldehyde; phenol; 4-(2,4,4-trimethylpentan-2-yl)phenol
SYSTEMATIC NAME: 4-tert-butylphenol; methanal; phenol; 4-(2,4,4-trimethylpentan-2-yl)phenol
MOLECULAR FORMULA: C31H44O4
MOLECULAR WEIGHT: 480.67866
SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O.CC(C)(C)C1=CC=C(C=C1)O.C=O.C1=CC=C(C=C1)O
Structure:
CAS RN: 52470-47-0
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; formaldehyde
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; formaldehyde
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; formaldehyde
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; methanal
MOLECULAR FORMULA: C5H15N3O
MOLECULAR WEIGHT: 133.1921
SMILES: C=O.C(CNCCN)N
Structure:
CAS RN: 70750-07-1
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; formaldehyde
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; formaldehyde
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; formaldehyde
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; methanal
MOLECULAR FORMULA: C5H15N3O
MOLECULAR WEIGHT: 133.1921
SMILES: C=O.C(CNCCN)N
Structure:
CAS RN: 70750-06-0
CAS Name: 1,3-diisocyanato-2-methylbenzene; 2-(2-hydroxyethoxy)ethanol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
OPENEYE Name: 1,3-diisocyanato-2-methyl-benzene; 2-(2-hydroxyethoxy)ethanol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
IUPAC Name: 1,3-diisocyanato-2-methylbenzene; 2-(2-hydroxyethoxy)ethanol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
SYSTEMATIC NAME: 1,3-diisocyanato-2-methyl-benzene; 2-(2-hydroxyethyloxy)ethanol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
MOLECULAR FORMULA: C28H38N4O7
MOLECULAR WEIGHT: 542.62392
SMILES: CC1=C(C=CC=C1N=C=O)N=C=O.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(COCCO)O
Structure:
CAS RN: 70749-97-2
CAS Name: benzene-1,4-dicarboxylic acid dimethyl ester; 2-(2-hydroxyethoxy)ethanol
OPENEYE Name: dimethyl benzene-1,4-dicarboxylate; 2-(2-hydroxyethoxy)ethanol
IUPAC Name: dimethyl benzene-1,4-dicarboxylate; 2-(2-hydroxyethoxy)ethanol
SYSTEMATIC NAME: dimethyl benzene-1,4-dicarboxylate; 2-(2-hydroxyethyloxy)ethanol
MOLECULAR FORMULA: C14H20O7
MOLECULAR WEIGHT: 300.3044
SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC.C(COCCO)O
Structure:
CAS RN: 70729-61-2
CAS Name: 2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate; morpholine
OPENEYE Name: 2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate; morpholine
IUPAC Name: 2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate; morpholine
SYSTEMATIC NAME: 2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate; morpholine
MOLECULAR FORMULA: C10H27N2O13P3
MOLECULAR WEIGHT: 476.248263
SMILES: C1COCCN1.C(COP(=O)(O)O)N(CCOP(=O)(O)O)CCOP(=O)(O)O
Structure:
CAS RN: 70714-91-9
CAS Name: 2-methyl-2-propenoic acid; 2-methyl-2-propenoic acid 2-hydroxyethyl ester; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid; 2-propenoic acid butyl ester; styrene
OPENEYE Name: acrylic acid; butyl prop-2-enoate; 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; styrene
IUPAC Name: butyl prop-2-enoate; 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; prop-2-enoic acid; styrene
SYSTEMATIC NAME: butyl prop-2-enoate; ethenylbenzene; 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; prop-2-enoic acid
MOLECULAR FORMULA: C33H48O11
MOLECULAR WEIGHT: 620.72762
SMILES: CCCCOC(=O)C=C.CC(=C)C(=O)O.CC(=C)C(=O)OC.CC(=C)C(=O)OCCO.C=CC1=CC=CC=C1.C=CC(=O)O
Structure:
CAS RN: 70714-80-6
CAS Name: 7-chloro-1-ethyl-4-methylquinolin-1-ium; 4-methylbenzenesulfonic acid
OPENEYE Name: 7-chloro-1-ethyl-4-methyl-quinolin-1-ium; 4-methylbenzenesulfonic acid
IUPAC Name: 7-chloro-1-ethyl-4-methylquinolin-1-ium; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: 7-chloranyl-1-ethyl-4-methyl-quinolin-1-ium; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C19H21ClNO3S+
MOLECULAR WEIGHT: 378.89294
SMILES: CC[N+]1=C2C=C(C=CC2=C(C=C1)C)Cl.CC1=CC=C(C=C1)S(=O)(=O)O
Structure:
CAS RN: 70714-64-6
CAS Name: copper; oxygen(2-); zirconium(4+)
OPENEYE Name: copper; oxygen(2-); zirconium(4+)
IUPAC Name: copper; oxygen(2-); zirconium(4+)
SYSTEMATIC NAME: copper; oxygen(2-); zirconium(4+)
MOLECULAR FORMULA: CuO3Zr
MOLECULAR WEIGHT: 202.7682
SMILES: [O-2].[O-2].[O-2].[Cu+2].[Zr+4]
Structure:
CAS RN: 70703-43-4
CAS Name: 4-[(4-aminophenyl)methyl]aniline; benzene-1,3-diamine; 2-(chloromethyl)oxirane; formaldehyde; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 4-(2-oxiranyl)-7-oxabicyclo[4.1.0]heptane; phenol
OPENEYE Name: 4-[(4-aminophenyl)methyl]aniline; benzene-1,3-diamine; 2-(chloromethyl)oxirane; formaldehyde; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; 4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane; phenol
IUPAC Name: 4-[(4-aminophenyl)methyl]aniline; benzene-1,3-diamine; 2-(chloromethyl)oxirane; formaldehyde; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane; phenol
SYSTEMATIC NAME: 4-[(4-aminophenyl)methyl]aniline; benzene-1,3-diamine; 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; methanal; 4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane; phenol
MOLECULAR FORMULA: C52H63ClN4O7
MOLECULAR WEIGHT: 891.53222
SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C=O.C1CC2C(O2)CC1C3CO3.C1C(O1)CCl.C1=CC=C(C=C1)O.C1=CC(=CC(=C1)N)N.C1=CC(=CC=C1CC2=CC=C(C=C2)N)N
Structure:
CAS RN: 67827-84-3
CAS Name: chromium(3+); hydron; 1-[5-(methylsulfamoyl)-2-oxidophenyl]azo-2-naphthalenolate
OPENEYE Name: chromic; hydron; 1-[5-(methylsulfamoyl)-2-oxido-phenyl]azonaphthalen-2-olate
IUPAC Name: chromium(3+); hydron; 1-[[5-(methylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate
SYSTEMATIC NAME: chromium(3+); hydron; 1-[[5-(methylsulfamoyl)-2-oxidanidyl-phenyl]diazenyl]naphthalen-2-olate
MOLECULAR FORMULA: C34H27CrN6O8S2
MOLECULAR WEIGHT: 763.73968
SMILES: [H+].CNS(=O)(=O)C1=CC(=C(C=C1)[O-])N=NC2=C(C=CC3=CC=CC=C32)[O-].CNS(=O)(=O)C1=CC(=C(C=C1)[O-])N=NC2=C(C=CC3=CC=CC=C32)[O-].[Cr+3]
Structure:
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