CAS RN: 71662-17-4
CAS Name: 8,8-diethoxy-2,6-dimethyl-2-octene
OPENEYE Name: 8,8-diethoxy-2,6-dimethyl-oct-2-ene
IUPAC Name: 8,8-diethoxy-2,6-dimethyloct-2-ene
SYSTEMATIC NAME: 8,8-diethoxy-2,6-dimethyl-oct-2-ene
MOLECULAR FORMULA: C14H28O2
MOLECULAR WEIGHT: 228.37092
SMILES: CCOC(CC(C)CCC=C(C)C)OCC
Structure:
CAS RN: 71648-33-4
CAS Name: 2-phenyl-1-propoxyethanol
OPENEYE Name: 2-phenyl-1-propoxy-ethanol
IUPAC Name: 2-phenyl-1-propoxyethanol
SYSTEMATIC NAME: 2-phenyl-1-propoxy-ethanol
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CCCOC(CC1=CC=CC=C1)O
Structure:
CAS RN: 71648-26-5
CAS Name: 3-ethyl-1,2-dihydrobenzimidazole
OPENEYE Name: 3-ethyl-1,2-dihydrobenzimidazole
IUPAC Name: 3-ethyl-1,2-dihydrobenzimidazole
SYSTEMATIC NAME: 3-ethyl-1,2-dihydrobenzimidazole
MOLECULAR FORMULA: C9H12N2
MOLECULAR WEIGHT: 148.20498
SMILES: CCN1CNC2=CC=CC=C21
Structure:
CAS RN: 71648-23-2
CAS Name: 3-ethoxy-4-methyl-N-phenylaniline
OPENEYE Name: 3-ethoxy-4-methyl-N-phenyl-aniline
IUPAC Name: 3-ethoxy-4-methyl-N-phenylaniline
SYSTEMATIC NAME: 3-ethoxy-4-methyl-N-phenyl-aniline
MOLECULAR FORMULA: C15H17NO
MOLECULAR WEIGHT: 227.30158
SMILES: CCOC1=C(C=CC(=C1)NC2=CC=CC=C2)C
Structure:
CAS RN: 71648-22-1
CAS Name: acetic acid 2-[2-(2-ethoxyethoxy)ethoxy]ethyl ester
OPENEYE Name: 2-[2-(2-ethoxyethoxy)ethoxy]ethyl acetate
IUPAC Name: 2-[2-(2-ethoxyethoxy)ethoxy]ethyl acetate
SYSTEMATIC NAME: 2-[2-(2-ethoxyethoxy)ethoxy]ethyl ethanoate
MOLECULAR FORMULA: C10H20O5
MOLECULAR WEIGHT: 220.2628
SMILES: CCOCCOCCOCCOC(=O)C
Structure:
CAS RN: 71648-19-6
CAS Name: 2-ethylhexoxymethanediol
OPENEYE Name: 2-ethylhexoxymethanediol
IUPAC Name: 2-ethylhexoxymethanediol
SYSTEMATIC NAME: 2-ethylhexoxymethanediol
MOLECULAR FORMULA: C9H20O3
MOLECULAR WEIGHT: 176.2533
SMILES: CCCCC(CC)COC(O)O
Structure:
CAS RN: 71636-38-9
CAS Name: 2-[2-(2-chloro-3,4-dimethoxyphenyl)ethylamino]-1-(4-methoxyphenyl)ethanol
OPENEYE Name: 2-[2-(2-chloro-3,4-dimethoxy-phenyl)ethylamino]-1-(4-methoxyphenyl)ethanol
IUPAC Name: 2-[2-(2-chloro-3,4-dimethoxyphenyl)ethylamino]-1-(4-methoxyphenyl)ethanol
SYSTEMATIC NAME: 2-[2-(2-chloranyl-3,4-dimethoxy-phenyl)ethylamino]-1-(4-methoxyphenyl)ethanol
MOLECULAR FORMULA: C19H24ClNO4
MOLECULAR WEIGHT: 365.85116
SMILES: COC1=CC=C(C=C1)C(CNCCC2=C(C(=C(C=C2)OC)OC)Cl)O
Structure:
CAS RN: 71630-67-6
CAS Name: 4,5-dinitro-10H-anthracen-9-one
OPENEYE Name: 4,5-dinitro-10H-anthracen-9-one
IUPAC Name: 4,5-dinitro-10H-anthracen-9-one
SYSTEMATIC NAME: 4,5-dinitro-10H-anthracen-9-one
MOLECULAR FORMULA: C14H8N2O5
MOLECULAR WEIGHT: 284.22372
SMILES: C1C2=C(C=CC=C2[N+](=O)[O-])C(=O)C3=C1C(=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 71619-13-1
CAS Name: N-ethyl-1-[3-methyl-4-(3-methylphenyl)azophenyl]azo-2-naphthalenamine
OPENEYE Name: N-ethyl-1-[3-methyl-4-(m-tolylazo)phenyl]azo-naphthalen-2-amine
IUPAC Name: N-ethyl-1-[[3-methyl-4-[(3-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-amine
SYSTEMATIC NAME: N-ethyl-1-[[3-methyl-4-[(3-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-amine
MOLECULAR FORMULA: C26H25N5
MOLECULAR WEIGHT: 407.5102
SMILES: CCNC1=C(C2=CC=CC=C2C=C1)N=NC3=CC(=C(C=C3)N=NC4=CC=CC(=C4)C)C
Structure:
CAS RN: 71619-12-0
CAS Name: 1-[3-methyl-4-(3-methylphenyl)azophenyl]azo-N-propan-2-yl-2-naphthalenamine
OPENEYE Name: N-isopropyl-1-[3-methyl-4-(m-tolylazo)phenyl]azo-naphthalen-2-amine
IUPAC Name: 1-[[3-methyl-4-[(3-methylphenyl)diazenyl]phenyl]diazenyl]-N-propan-2-ylnaphthalen-2-amine
SYSTEMATIC NAME: 1-[[3-methyl-4-[(3-methylphenyl)diazenyl]phenyl]diazenyl]-N-propan-2-yl-naphthalen-2-amine
MOLECULAR FORMULA: C27H27N5
MOLECULAR WEIGHT: 421.53678
SMILES: CC1=CC(=CC=C1)N=NC2=C(C=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)NC(C)C)C
Structure:
CAS RN: 71617-27-1
CAS Name: N-(2,2-dihydroxyethyl)-N-[3-(2,2-dihydroxyethylamino)-4-methoxyphenyl]acetamide
OPENEYE Name: N-(2,2-dihydroxyethyl)-N-[3-(2,2-dihydroxyethylamino)-4-methoxy-phenyl]acetamide
IUPAC Name: N-(2,2-dihydroxyethyl)-N-[3-(2,2-dihydroxyethylamino)-4-methoxyphenyl]acetamide
SYSTEMATIC NAME: N-[2,2-bis(oxidanyl)ethyl]-N-[3-[2,2-bis(oxidanyl)ethylamino]-4-methoxy-phenyl]ethanamide
MOLECULAR FORMULA: C13H20N2O6
MOLECULAR WEIGHT: 300.3077
SMILES: CC(=O)N(CC(O)O)C1=CC(=C(C=C1)OC)NCC(O)O
Structure:
CAS RN: 71617-24-8
CAS Name: 2-[bis(3,5-dibromo-4-hydroxyphenyl)-hydroxymethyl]benzenesulfonic acid
OPENEYE Name: 2-[bis(3,5-dibromo-4-hydroxy-phenyl)-hydroxy-methyl]benzenesulfonic acid
IUPAC Name: 2-[bis(3,5-dibromo-4-hydroxyphenyl)-hydroxymethyl]benzenesulfonic acid
SYSTEMATIC NAME: 2-[bis[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-oxidanyl-methyl]benzenesulfonic acid
MOLECULAR FORMULA: C19H12Br4O6S
MOLECULAR WEIGHT: 687.97598
SMILES: C1=CC=C(C(=C1)C(C2=CC(=C(C(=C2)Br)O)Br)(C3=CC(=C(C(=C3)Br)O)Br)O)S(=O)(=O)O
Structure:
CAS RN: 71617-19-1
CAS Name: 1-(3-methyl-2-propan-2-ylphenyl)ethanone
OPENEYE Name: 1-(2-isopropyl-3-methyl-phenyl)ethanone
IUPAC Name: 1-(3-methyl-2-propan-2-ylphenyl)ethanone
SYSTEMATIC NAME: 1-(3-methyl-2-propan-2-yl-phenyl)ethanone
MOLECULAR FORMULA: C12H16O
MOLECULAR WEIGHT: 176.25484
SMILES: CC1=CC=CC(=C1C(C)C)C(=O)C
Structure:
CAS RN: 71617-18-0
CAS Name: acetic acid 6,6-dimethylheptyl ester
OPENEYE Name: 6,6-dimethylheptyl acetate
IUPAC Name: 6,6-dimethylheptyl acetate
SYSTEMATIC NAME: 6,6-dimethylheptyl ethanoate
MOLECULAR FORMULA: C11H22O2
MOLECULAR WEIGHT: 186.29118
SMILES: CC(=O)OCCCCCC(C)(C)C
Structure:
CAS RN: 71617-17-9
CAS Name: 1,1-bis(prop-2-enoxy)octane
OPENEYE Name: 1,1-diallyloxyoctane
IUPAC Name: 1,1-bis(prop-2-enoxy)octane
SYSTEMATIC NAME: 1,1-bis(prop-2-enoxy)octane
MOLECULAR FORMULA: C14H26O2
MOLECULAR WEIGHT: 226.35504
SMILES: CCCCCCCC(OCC=C)OCC=C
Structure:
CAS RN: 71617-16-8
CAS Name: formic acid (2-methyl-6-methyleneoct-7-en-2-yl) ester
OPENEYE Name: (1,1-dimethyl-5-methylene-hept-6-enyl) formate
IUPAC Name: (2-methyl-6-methylideneoct-7-en-2-yl) formate
SYSTEMATIC NAME: (2-methyl-6-methylidene-oct-7-en-2-yl) methanoate
MOLECULAR FORMULA: C11H18O2
MOLECULAR WEIGHT: 182.25942
SMILES: CC(C)(CCCC(=C)C=C)OC=O
Structure:
CAS RN: 71617-09-9
CAS Name: 3-methylbutanoic acid (2-methoxyphenyl)methyl ester
OPENEYE Name: (2-methoxyphenyl)methyl 3-methylbutanoate
IUPAC Name: (2-methoxyphenyl)methyl 3-methylbutanoate
SYSTEMATIC NAME: (2-methoxyphenyl)methyl 3-methylbutanoate
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CC(C)CC(=O)OCC1=CC=CC=C1OC
Structure:
CAS RN: 71607-51-7
CAS Name: heptanoic acid (4-methoxyphenyl)methyl ester
OPENEYE Name: (4-methoxyphenyl)methyl heptanoate
IUPAC Name: (4-methoxyphenyl)methyl heptanoate
SYSTEMATIC NAME: (4-methoxyphenyl)methyl heptanoate
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: CCCCCCC(=O)OCC1=CC=C(C=C1)OC
Structure:
CAS RN: 71607-40-4
CAS Name: decanedioic acid O1-(2-ethylhexyl) ester O10-(2,2,5-trimethylhexyl) ester
OPENEYE Name: O1-(2-ethylhexyl) O10-(2,2,5-trimethylhexyl) decanedioate
IUPAC Name: 1-O-(2-ethylhexyl) 10-O-(2,2,5-trimethylhexyl) decanedioate
SYSTEMATIC NAME: O1-(2-ethylhexyl) O10-(2,2,5-trimethylhexyl) decanedioate
MOLECULAR FORMULA: C27H52O4
MOLECULAR WEIGHT: 440.69938
SMILES: CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(C)(C)CCC(C)C
Structure:
CAS RN: 71607-39-1
CAS Name: 3-[(ethylthio)methyl]heptane
OPENEYE Name: 3-(ethylsulfanylmethyl)heptane
IUPAC Name: 3-(ethylsulfanylmethyl)heptane
SYSTEMATIC NAME: 3-(ethylsulfanylmethyl)heptane
MOLECULAR FORMULA: C10H22S
MOLECULAR WEIGHT: 174.34668
SMILES: CCCCC(CC)CSCC
Structure:
CAS RN: 71607-38-0
CAS Name: ethyl-(2-ethylhexyl)-dimethylammonium bromide
OPENEYE Name: ethyl-(2-ethylhexyl)-dimethyl-ammonium bromide
IUPAC Name: ethyl-(2-ethylhexyl)-dimethylazanium bromide
SYSTEMATIC NAME: ethyl-(2-ethylhexyl)-dimethyl-azanium bromide
MOLECULAR FORMULA: C12H28BrN
MOLECULAR WEIGHT: 266.26142
SMILES: CCCCC(CC)C[N+](C)(C)CC.[Br-]
Structure:
CAS RN: 71607-37-9
CAS Name: butyl-(2-ethylhexyl)-dimethylammonium chloride
OPENEYE Name: butyl-(2-ethylhexyl)-dimethyl-ammonium chloride
IUPAC Name: butyl-(2-ethylhexyl)-dimethylazanium chloride
SYSTEMATIC NAME: butyl-(2-ethylhexyl)-dimethyl-azanium chloride
MOLECULAR FORMULA: C14H32ClN
MOLECULAR WEIGHT: 249.86358
SMILES: CCCCC(CC)C[N+](C)(C)CCCC.[Cl-]
Structure:
CAS RN: 71607-36-8
CAS Name: 3-formamido-3-oxopropanoic acid ethyl ester
OPENEYE Name: ethyl 3-formamido-3-oxo-propanoate
IUPAC Name: ethyl 3-formamido-3-oxopropanoate
SYSTEMATIC NAME: ethyl 3-formamido-3-oxidanylidene-propanoate
MOLECULAR FORMULA: C6H9NO4
MOLECULAR WEIGHT: 159.13996
SMILES: CCOC(=O)CC(=O)NC=O
Structure:
CAS RN: 71607-33-5
CAS Name: 1,4-bis(4-methylphenyl)-1-butanone
OPENEYE Name: 1,4-bis(p-tolyl)butan-1-one
IUPAC Name: 1,4-bis(4-methylphenyl)butan-1-one
SYSTEMATIC NAME: 1,4-bis(4-methylphenyl)butan-1-one
MOLECULAR FORMULA: C18H20O
MOLECULAR WEIGHT: 252.3508
SMILES: CC1=CC=C(C=C1)CCCC(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 71604-74-5
CAS Name: 3-(2-oxiranylmethoxy)-N,N-bis(2-oxiranylmethyl)aniline
OPENEYE Name: 3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
IUPAC Name: 3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
SYSTEMATIC NAME: 3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
MOLECULAR FORMULA: C15H19NO4
MOLECULAR WEIGHT: 277.31566
SMILES: C1C(O1)CN(CC2CO2)C3=CC(=CC=C3)OCC4CO4
Structure:
CAS RN: 71595-57-8
CAS Name: 1-hexadecyl-1-methylpiperidin-1-ium
OPENEYE Name: 1-hexadecyl-1-methyl-piperidin-1-ium
IUPAC Name: 1-hexadecyl-1-methylpiperidin-1-ium
SYSTEMATIC NAME: 1-hexadecyl-1-methyl-piperidin-1-ium
MOLECULAR FORMULA: C22H46N+
MOLECULAR WEIGHT: 324.60734
SMILES: CCCCCCCCCCCCCCCC[N+]1(CCCCC1)C
Structure:
CAS RN: 71532-23-5
CAS Name: 2-hex-5-enylpyridine
OPENEYE Name: 2-hex-5-enylpyridine
IUPAC Name: 2-hex-5-enylpyridine
SYSTEMATIC NAME: 2-hex-5-enylpyridine
MOLECULAR FORMULA: C11H15N
MOLECULAR WEIGHT: 161.2435
SMILES: C=CCCCCC1=CC=CC=N1
Structure:
CAS RN: 71526-45-9
CAS Name: acetic acid [1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]butyl] ester
OPENEYE Name: [1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]butyl] acetate
IUPAC Name: [1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]butyl] acetate
SYSTEMATIC NAME: [1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]butyl] ethanoate
MOLECULAR FORMULA: C21H26O4
MOLECULAR WEIGHT: 342.42874
SMILES: CCC(CC1=CC=C(C=C1)OC)C(C2=CC=C(C=C2)OC)OC(=O)C
Structure:
CAS RN: 71501-46-7
CAS Name: 4-(2-chlorophenyl)-4-piperidinol
OPENEYE Name: 4-(2-chlorophenyl)piperidin-4-ol
IUPAC Name: 4-(2-chlorophenyl)piperidin-4-ol
SYSTEMATIC NAME: 4-(2-chlorophenyl)piperidin-4-ol
MOLECULAR FORMULA: C11H14ClNO
MOLECULAR WEIGHT: 211.68796
SMILES: C1CNCCC1(C2=CC=CC=C2Cl)O
Structure:
CAS RN: 71501-41-2
CAS Name: bis(2-chlorocyclopentyl)methanone
OPENEYE Name: bis(2-chlorocyclopentyl)methanone
IUPAC Name: bis(2-chlorocyclopentyl)methanone
SYSTEMATIC NAME: bis(2-chloranylcyclopentyl)methanone
MOLECULAR FORMULA: C11H16Cl2O
MOLECULAR WEIGHT: 235.15014
SMILES: C1CC(C(C1)Cl)C(=O)C2CCCC2Cl
Structure:
CAS RN: 71501-38-7
CAS Name: 1-chloro-4-[(2-chloroethylthio)methyl]benzene
OPENEYE Name: 1-chloro-4-(2-chloroethylsulfanylmethyl)benzene
IUPAC Name: 1-chloro-4-(2-chloroethylsulfanylmethyl)benzene
SYSTEMATIC NAME: 1-chloranyl-4-(2-chloroethylsulfanylmethyl)benzene
MOLECULAR FORMULA: C9H10Cl2S
MOLECULAR WEIGHT: 221.1467
SMILES: C1=CC(=CC=C1CSCCCl)Cl
Structure:
CAS RN: 71501-37-6
CAS Name: 3-amino-2-chlorobenzenesulfonic acid
OPENEYE Name: 3-amino-2-chloro-benzenesulfonic acid
IUPAC Name: 3-amino-2-chlorobenzenesulfonic acid
SYSTEMATIC NAME: 3-azanyl-2-chloranyl-benzenesulfonic acid
MOLECULAR FORMULA: C6H6ClNO3S
MOLECULAR WEIGHT: 207.63474
SMILES: C1=CC(=C(C(=C1)S(=O)(=O)O)Cl)N
Structure:
CAS RN: 71501-36-5
CAS Name: 1-(chloroamino)-2-propanone
OPENEYE Name: 1-(chloroamino)propan-2-one
IUPAC Name: 1-(chloroamino)propan-2-one
SYSTEMATIC NAME: 1-(chloranylamino)propan-2-one
MOLECULAR FORMULA: C3H6ClNO
MOLECULAR WEIGHT: 107.53884
SMILES: CC(=O)CNCl
Structure:
CAS RN: 71501-32-1
CAS Name: sodium 2-chloro-5-methyl-3-nitrobenzenesulfonate
OPENEYE Name: sodium 2-chloro-5-methyl-3-nitro-benzenesulfonate
IUPAC Name: sodium 2-chloro-5-methyl-3-nitrobenzenesulfonate
SYSTEMATIC NAME: sodium 2-chloranyl-5-methyl-3-nitro-benzenesulfonate
MOLECULAR FORMULA: C7H5ClNNaO5S
MOLECULAR WEIGHT: 273.62607
SMILES: CC1=CC(=C(C(=C1)S(=O)(=O)[O-])Cl)[N+](=O)[O-].[Na+]
Structure:
CAS RN: 71501-30-9
CAS Name: 3-amino-2-chloro-3-oxopropanoic acid
OPENEYE Name: 3-amino-2-chloro-3-oxo-propanoic acid
IUPAC Name: 3-amino-2-chloro-3-oxopropanoic acid
SYSTEMATIC NAME: 3-azanyl-2-chloranyl-3-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C3H4ClNO3
MOLECULAR WEIGHT: 137.52176
SMILES: C(C(=O)N)(C(=O)O)Cl
Structure:
CAS RN: 71501-29-6
CAS Name: 2-chloro-1,3-benzothiazol-4-ol
OPENEYE Name: 2-chloro-1,3-benzothiazol-4-ol
IUPAC Name: 2-chloro-1,3-benzothiazol-4-ol
SYSTEMATIC NAME: 2-chloranyl-1,3-benzothiazol-4-ol
MOLECULAR FORMULA: C7H4ClNOS
MOLECULAR WEIGHT: 185.63076
SMILES: C1=CC(=C2C(=C1)SC(=N2)Cl)O
Structure:
CAS RN: 71501-28-5
CAS Name: 2-chloroethoxymethanediol
OPENEYE Name: 2-chloroethoxymethanediol
IUPAC Name: 2-chloroethoxymethanediol
SYSTEMATIC NAME: 2-chloroethyloxymethanediol
MOLECULAR FORMULA: C3H7ClO3
MOLECULAR WEIGHT: 126.53888
SMILES: C(CCl)OC(O)O
Structure:
CAS RN: 71501-26-3
CAS Name: 6-chloro-4-methyl-1H-indole-3-thiol
OPENEYE Name: 6-chloro-4-methyl-1H-indole-3-thiol
IUPAC Name: 6-chloro-4-methyl-1H-indole-3-thiol
SYSTEMATIC NAME: 6-chloranyl-4-methyl-1H-indole-3-thiol
MOLECULAR FORMULA: C9H8ClNS
MOLECULAR WEIGHT: 197.68452
SMILES: CC1=CC(=CC2=C1C(=CN2)S)Cl
Structure:
CAS RN: 71501-17-2
CAS Name: 1,4-bis(4-methoxyphenyl)-1-butanone
OPENEYE Name: 1,4-bis(4-methoxyphenyl)butan-1-one
IUPAC Name: 1,4-bis(4-methoxyphenyl)butan-1-one
SYSTEMATIC NAME: 1,4-bis(4-methoxyphenyl)butan-1-one
MOLECULAR FORMULA: C18H20O3
MOLECULAR WEIGHT: 284.3496
SMILES: COC1=CC=C(C=C1)CCCC(=O)C2=CC=C(C=C2)OC
Structure:
CAS RN: 71501-13-8
CAS Name: 2,2-di(butan-2-yl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2,2-disec-butylpropanedioate
IUPAC Name: diethyl 2,2-di(butan-2-yl)propanedioate
SYSTEMATIC NAME: diethyl 2,2-di(butan-2-yl)propanedioate
MOLECULAR FORMULA: C15H28O4
MOLECULAR WEIGHT: 272.38042
SMILES: CCC(C)C(C(C)CC)(C(=O)OCC)C(=O)OCC
Structure:
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