CAS RN: 70857-56-6
CAS Name: benzene-1,2-dicarboxylic acid bis(2-methyloctyl) ester
OPENEYE Name: bis(2-methyloctyl) benzene-1,2-dicarboxylate
IUPAC Name: bis(2-methyloctyl) benzene-1,2-dicarboxylate
SYSTEMATIC NAME: bis(2-methyloctyl) benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C26H42O4
MOLECULAR WEIGHT: 418.60928
SMILES: CCCCCCC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)CCCCCC
Structure:
CAS RN: 70855-13-9
CAS Name: 1-(2-methylphenyl)hexane-2,5-dione
OPENEYE Name: 1-(o-tolyl)hexane-2,5-dione
IUPAC Name: 1-(2-methylphenyl)hexane-2,5-dione
SYSTEMATIC NAME: 1-(2-methylphenyl)hexane-2,5-dione
MOLECULAR FORMULA: C13H16O2
MOLECULAR WEIGHT: 204.26494
SMILES: CC1=CC=CC=C1CC(=O)CCC(=O)C
Structure:
CAS RN: 70813-65-9
CAS Name: 10-chlorodecanoic acid ethyl ester
OPENEYE Name: ethyl 10-chlorodecanoate
IUPAC Name: ethyl 10-chlorodecanoate
SYSTEMATIC NAME: ethyl 10-chloranyldecanoate
MOLECULAR FORMULA: C12H23ClO2
MOLECULAR WEIGHT: 234.76282
SMILES: CCOC(=O)CCCCCCCCCCl
Structure:
CAS RN: 70804-02-3
CAS Name: N'-(2,2,6,6-tetramethyl-4-piperidinyl)ethane-1,2-diamine
OPENEYE Name: N'-(2,2,6,6-tetramethyl-4-piperidyl)ethane-1,2-diamine
IUPAC Name: N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
SYSTEMATIC NAME: N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
MOLECULAR FORMULA: C11H25N3
MOLECULAR WEIGHT: 199.3363
SMILES: CC1(CC(CC(N1)(C)C)NCCN)C
Structure:
CAS RN: 70783-44-7
CAS Name: 2,2,2-trifluoro-1-[4-(4-morpholinyl)phenyl]ethanone
OPENEYE Name: 2,2,2-trifluoro-1-(4-morpholinophenyl)ethanone
IUPAC Name: 2,2,2-trifluoro-1-(4-morpholin-4-ylphenyl)ethanone
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-1-(4-morpholin-4-ylphenyl)ethanone
MOLECULAR FORMULA: C12H12F3NO2
MOLECULAR WEIGHT: 259.22439
SMILES: C1COCCN1C2=CC=C(C=C2)C(=O)C(F)(F)F
Structure:
CAS RN: 70767-01-0
CAS Name: 4-(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)-2-[3-[methyl(dipropoxy)silyl]propyl]isoindole-1,3-dione
OPENEYE Name: 4-(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)-2-[3-[methyl(dipropoxy)silyl]propyl]isoindoline-1,3-dione
IUPAC Name: 4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-2-[3-[methyl(dipropoxy)silyl]propyl]isoindole-1,3-dione
SYSTEMATIC NAME: 4-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-2-[3-[methyl(dipropoxy)silyl]propyl]isoindole-1,3-dione
MOLECULAR FORMULA: C24H32N2O6Si
MOLECULAR WEIGHT: 472.60618
SMILES: CCCO[Si](C)(CCCN1C(=O)C2=C(C1=O)C(=CC=C2)N3C(=O)C(=C(C3=O)C)C)OCCC
Structure:
CAS RN: 70760-07-5
CAS Name: 3-ethyl-2-methyl-4-penten-2-ol
OPENEYE Name: 3-ethyl-2-methyl-pent-4-en-2-ol
IUPAC Name: 3-ethyl-2-methylpent-4-en-2-ol
SYSTEMATIC NAME: 3-ethyl-2-methyl-pent-4-en-2-ol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CCC(C=C)C(C)(C)O
Structure:
CAS RN: 70752-98-6
CAS Name: 1-[3-(4-methyl-1-piperazinyl)propyl]indole
OPENEYE Name: 1-[3-(4-methylpiperazin-1-yl)propyl]indole
IUPAC Name: 1-[3-(4-methylpiperazin-1-yl)propyl]indole
SYSTEMATIC NAME: 1-[3-(4-methylpiperazin-1-yl)propyl]indole
MOLECULAR FORMULA: C16H23N3
MOLECULAR WEIGHT: 257.37392
SMILES: CN1CCN(CC1)CCCN2C=CC3=CC=CC=C32
Structure:
CAS RN: 70751-30-3
CAS Name: 2-(2-methoxyphenyl)-3-oxobutanenitrile
OPENEYE Name: 2-(2-methoxyphenyl)-3-oxo-butanenitrile
IUPAC Name: 2-(2-methoxyphenyl)-3-oxobutanenitrile
SYSTEMATIC NAME: 2-(2-methoxyphenyl)-3-oxidanylidene-butanenitrile
MOLECULAR FORMULA: C11H11NO2
MOLECULAR WEIGHT: 189.21054
SMILES: CC(=O)C(C#N)C1=CC=CC=C1OC
Structure:
CAS RN: 70710-10-0
CAS Name: phosphoric acid 2-ethylhexyl bis(2-hydroxyethyl) ester
OPENEYE Name: 2-ethylhexyl bis(2-hydroxyethyl) phosphate
IUPAC Name: 2-ethylhexyl bis(2-hydroxyethyl) phosphate
SYSTEMATIC NAME: 2-ethylhexyl bis(2-hydroxyethyl) phosphate
MOLECULAR FORMULA: C12H27O6P
MOLECULAR WEIGHT: 298.312941
SMILES: CCCCC(CC)COP(=O)(OCCO)OCCO
Structure:
CAS RN: 70697-72-2
CAS Name: 2-chloro-3-oxobutanoic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-chloro-3-oxo-butanoate
IUPAC Name: propan-2-yl 2-chloro-3-oxobutanoate
SYSTEMATIC NAME: propan-2-yl 2-chloranyl-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C7H11ClO3
MOLECULAR WEIGHT: 178.61344
SMILES: CC(C)OC(=O)C(C(=O)C)Cl
Structure:
CAS RN: 70687-99-9
CAS Name: 4-methyl-3-octyl-5-[4-(propan-2-ylthio)phenyl]-2-oxazolidinone
OPENEYE Name: 5-(4-isopropylsulfanylphenyl)-4-methyl-3-octyl-oxazolidin-2-one
IUPAC Name: 4-methyl-3-octyl-5-(4-propan-2-ylsulfanylphenyl)-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 4-methyl-3-octyl-5-(4-propan-2-ylsulfanylphenyl)-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C21H33NO2S
MOLECULAR WEIGHT: 363.55722
SMILES: CCCCCCCCN1C(C(OC1=O)C2=CC=C(C=C2)SC(C)C)C
Structure:
CAS RN: 70634-28-5
CAS Name: 2-tert-butyl-1-nitro-4-phenylbenzene
OPENEYE Name: 2-tert-butyl-1-nitro-4-phenyl-benzene
IUPAC Name: 2-tert-butyl-1-nitro-4-phenylbenzene
SYSTEMATIC NAME: 2-tert-butyl-1-nitro-4-phenyl-benzene
MOLECULAR FORMULA: C16H17NO2
MOLECULAR WEIGHT: 255.31168
SMILES: CC(C)(C)C1=C(C=CC(=C1)C2=CC=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 70609-70-0
CAS Name: N-[5-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxoethyl]amino]-2-chlorophenyl]-1-hydroxy-2-naphthalenecarboxamide
OPENEYE Name: N-[5-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-2-chloro-phenyl]-1-hydroxy-naphthalene-2-carboxamide
IUPAC Name: N-[5-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-2-chlorophenyl]-1-hydroxynaphthalene-2-carboxamide
SYSTEMATIC NAME: N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]ethanoylamino]-2-chloranyl-phenyl]-1-oxidanyl-naphthalene-2-carboxamide
MOLECULAR FORMULA: C35H39ClN2O4
MOLECULAR WEIGHT: 587.14816
SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C3=C(C4=CC=CC=C4C=C3)O)C(C)(C)CC
Structure:
CAS RN: 70598-48-0
CAS Name: 4-chloro-2-ethyl-6-methylaniline
OPENEYE Name: 4-chloro-2-ethyl-6-methyl-aniline
IUPAC Name: 4-chloro-2-ethyl-6-methylaniline
SYSTEMATIC NAME: 4-chloranyl-2-ethyl-6-methyl-aniline
MOLECULAR FORMULA: C9H12ClN
MOLECULAR WEIGHT: 169.65128
SMILES: CCC1=C(C(=CC(=C1)Cl)C)N
Structure:
CAS RN: 70593-32-7
CAS Name: N-[(4-methoxyanilino)-oxomethyl]-3-pyridinecarboxamide
OPENEYE Name: N-[(4-methoxyphenyl)carbamoyl]pyridine-3-carboxamide
IUPAC Name: N-[(4-methoxyphenyl)carbamoyl]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[(4-methoxyphenyl)carbamoyl]pyridine-3-carboxamide
MOLECULAR FORMULA: C14H13N3O3
MOLECULAR WEIGHT: 271.27132
SMILES: COC1=CC=C(C=C1)NC(=O)NC(=O)C2=CN=CC=C2
Structure:
CAS RN: 70496-34-3
CAS Name: trimethyl-[2-(1-oxopropylthio)ethyl]ammonium chloride
OPENEYE Name: trimethyl(2-propanoylsulfanylethyl)ammonium chloride
IUPAC Name: trimethyl(2-propanoylsulfanylethyl)azanium chloride
SYSTEMATIC NAME: trimethyl(2-propanoylsulfanylethyl)azanium chloride
MOLECULAR FORMULA: C8H18ClNOS
MOLECULAR WEIGHT: 211.75262
SMILES: CCC(=O)SCC[N+](C)(C)C.[Cl-]
Structure:
CAS RN: 70485-37-9
CAS Name: carbonic acid bis(4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester
OPENEYE Name: bis(4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) carbonate
IUPAC Name: bis(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) carbonate
SYSTEMATIC NAME: bis(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) carbonate
MOLECULAR FORMULA: C39H38N4O5
MOLECULAR WEIGHT: 642.74282
SMILES: CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)OC4=C(C(=O)N(N4C5=CC=CC=C5)C6=CC=CC=C6)CCCC
Structure:
CAS RN: 70458-93-4
CAS Name: 7-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylate
IUPAC Name: ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 7-chloranyl-6-fluoranyl-4-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C12H9ClFNO3
MOLECULAR WEIGHT: 269.656163
SMILES: CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)F)Cl
Structure:
CAS RN: 70324-56-0
CAS Name: 1-cyclohexyl-3-(3-isothiocyanato-4-methylphenyl)sulfonylurea
OPENEYE Name: 1-cyclohexyl-3-(3-isothiocyanato-4-methyl-phenyl)sulfonyl-urea
IUPAC Name: 1-cyclohexyl-3-(3-isothiocyanato-4-methylphenyl)sulfonylurea
SYSTEMATIC NAME: 1-cyclohexyl-3-(3-isothiocyanato-4-methyl-phenyl)sulfonyl-urea
MOLECULAR FORMULA: C15H19N3O3S2
MOLECULAR WEIGHT: 353.45966
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2)N=C=S
Structure:
CAS RN: 70259-86-8
CAS Name: 1,1,2,2,3,3,4,4-octafluoro-1-butanesulfonic acid
OPENEYE Name: 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid
IUPAC Name: 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4-octakis(fluoranyl)butane-1-sulfonic acid
MOLECULAR FORMULA: C4H2F8O3S
MOLECULAR WEIGHT: 282.109106
SMILES: C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F
Structure:
CAS RN: 70239-77-9
CAS Name: 4-[[(3-aminophenyl)-oxomethyl]amino]-5-hydroxynaphthalene-1,7-disulfonic acid
OPENEYE Name: 4-[(3-aminobenzoyl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid
IUPAC Name: 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid
SYSTEMATIC NAME: 4-[(3-aminophenyl)carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid
MOLECULAR FORMULA: C17H14N2O8S2
MOLECULAR WEIGHT: 438.43166
SMILES: C1=CC(=CC(=C1)N)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O
Structure:
CAS RN: 70216-96-5
CAS Name: 2-(1,3-benzothiazol-2-yloxy)phenol
OPENEYE Name: 2-(1,3-benzothiazol-2-yloxy)phenol
IUPAC Name: 2-(1,3-benzothiazol-2-yloxy)phenol
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-yloxy)phenol
MOLECULAR FORMULA: C13H9NO2S
MOLECULAR WEIGHT: 243.28106
SMILES: C1=CC=C2C(=C1)N=C(S2)OC3=CC=CC=C3O
Structure:
CAS RN: 70189-88-7
CAS Name: 3-(propylamino)propane-1,2-diol
OPENEYE Name: 3-(propylamino)propane-1,2-diol
IUPAC Name: 3-(propylamino)propane-1,2-diol
SYSTEMATIC NAME: 3-(propylamino)propane-1,2-diol
MOLECULAR FORMULA: C6H15NO2
MOLECULAR WEIGHT: 133.1888
SMILES: CCCNCC(CO)O
Structure:
CAS RN: 70173-57-8
CAS Name: 2-methoxy-4-(2-methoxyphenyl)azo-5-methylaniline
OPENEYE Name: 2-methoxy-4-(2-methoxyphenyl)azo-5-methyl-aniline
IUPAC Name: 2-methoxy-4-[(2-methoxyphenyl)diazenyl]-5-methylaniline
SYSTEMATIC NAME: 2-methoxy-4-[(2-methoxyphenyl)diazenyl]-5-methyl-aniline
MOLECULAR FORMULA: C15H17N3O2
MOLECULAR WEIGHT: 271.31438
SMILES: CC1=CC(=C(C=C1N=NC2=CC=CC=C2OC)OC)N
Structure:
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