CAS RN: 66264-96-8
CAS Name: 4-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-2-(methylthio)phenol hydrochloride
OPENEYE Name: 4-[1-hydroxy-2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]ethyl]-2-methylsulfanyl-phenol hydrochloride
IUPAC Name: 4-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-2-methylsulfanylphenol hydrochloride
SYSTEMATIC NAME: 4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]-1-oxidanyl-ethyl]-2-methylsulfanyl-phenol hydrochloride
MOLECULAR FORMULA: C20H28ClNO3S
MOLECULAR WEIGHT: 397.95922
SMILES: CC(CCC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)SC)O.Cl
Structure:
CAS RN: 66264-75-3
CAS Name: acetic acid [4-(2-bromo-1-oxoethyl)-3-(methylthio)phenyl] ester
OPENEYE Name: [4-(2-bromoacetyl)-3-methylsulfanyl-phenyl] acetate
IUPAC Name: [4-(2-bromoacetyl)-3-methylsulfanylphenyl] acetate
SYSTEMATIC NAME: [4-(2-bromanylethanoyl)-3-methylsulfanyl-phenyl] ethanoate
MOLECULAR FORMULA: C11H11BrO3S
MOLECULAR WEIGHT: 303.17224
SMILES: CC(=O)OC1=CC(=C(C=C1)C(=O)CBr)SC
Structure:
CAS RN: 66264-72-0
CAS Name: 4-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-2-(methylthio)phenol
OPENEYE Name: 4-[1-hydroxy-2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]ethyl]-2-methylsulfanyl-phenol
IUPAC Name: 4-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-2-methylsulfanylphenol
SYSTEMATIC NAME: 4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]-1-oxidanyl-ethyl]-2-methylsulfanyl-phenol
MOLECULAR FORMULA: C20H27NO3S
MOLECULAR WEIGHT: 361.49828
SMILES: CC(CCC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)SC)O
Structure:
CAS RN: 66264-56-0
CAS Name: 1-[4-hydroxy-3-(methylthio)phenyl]ethanone
OPENEYE Name: 1-(4-hydroxy-3-methylsulfanyl-phenyl)ethanone
IUPAC Name: 1-(4-hydroxy-3-methylsulfanylphenyl)ethanone
SYSTEMATIC NAME: 1-(3-methylsulfanyl-4-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C9H10O2S
MOLECULAR WEIGHT: 182.2395
SMILES: CC(=O)C1=CC(=C(C=C1)O)SC
Structure:
CAS RN: 471-47-6
CAS Name: oxamate
OPENEYE Name: oxamate
IUPAC Name: oxamate
SYSTEMATIC NAME: 2-azanyl-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C2H2NO3-
MOLECULAR WEIGHT: 88.04218
SMILES: C(=O)(C(=O)[O-])N
Structure:
CAS RN: 66256-62-0
CAS Name: 4-methyl-2-propyl-1-hexanol
OPENEYE Name: 4-methyl-2-propyl-hexan-1-ol
IUPAC Name: 4-methyl-2-propylhexan-1-ol
SYSTEMATIC NAME: 4-methyl-2-propyl-hexan-1-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCCC(CC(C)CC)CO
Structure:
CAS RN: 66255-91-2
CAS Name: 2-phenylpropanoic acid 2-phenylpropyl ester
OPENEYE Name: 2-phenylpropyl 2-phenylpropanoate
IUPAC Name: 2-phenylpropyl 2-phenylpropanoate
SYSTEMATIC NAME: 2-phenylpropyl 2-phenylpropanoate
MOLECULAR FORMULA: C18H20O2
MOLECULAR WEIGHT: 268.3502
SMILES: CC(COC(=O)C(C)C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 66250-03-1
CAS Name: 1,1,4-trichlorobutane
OPENEYE Name: 1,1,4-trichlorobutane
IUPAC Name: 1,1,4-trichlorobutane
SYSTEMATIC NAME: 1,1,4-tris(chloranyl)butane
MOLECULAR FORMULA: C4H7Cl3
MOLECULAR WEIGHT: 161.45738
SMILES: C(CC(Cl)Cl)CCl
Structure:
CAS RN: 66227-21-2
CAS Name: 1-butoxy-4-(4-pentylcyclohexyl)benzene
OPENEYE Name: 1-butoxy-4-(4-pentylcyclohexyl)benzene
IUPAC Name: 1-butoxy-4-(4-pentylcyclohexyl)benzene
SYSTEMATIC NAME: 1-butoxy-4-(4-pentylcyclohexyl)benzene
MOLECULAR FORMULA: C21H34O
MOLECULAR WEIGHT: 302.49406
SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)OCCCC
Structure:
CAS RN: 66222-21-7
CAS Name: 1-(1-ethoxyethoxy)ethylbenzene
OPENEYE Name: 1-(1-ethoxyethoxy)ethylbenzene
IUPAC Name: 1-(1-ethoxyethoxy)ethylbenzene
SYSTEMATIC NAME: 1-(1-ethoxyethoxy)ethylbenzene
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CCOC(C)OC(C)C1=CC=CC=C1
Structure:
CAS RN: 66209-50-5
CAS Name: acetic acid (1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) ester
OPENEYE Name: [2-acetamido-1-(acetylcarbamoyl)-1-methyl-2-oxo-ethyl] acetate
IUPAC Name: (1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate
SYSTEMATIC NAME: [1,3-diacetamido-2-methyl-1,3-bis(oxidanylidene)propan-2-yl] ethanoate
MOLECULAR FORMULA: C10H14N2O6
MOLECULAR WEIGHT: 258.22796
SMILES: CC(=O)NC(=O)C(C)(C(=O)NC(=O)C)OC(=O)C
Structure:
CAS RN: 66195-26-4
CAS Name: N-(5-methylhexan-2-yl)-4-nitrosoaniline
OPENEYE Name: N-(1,4-dimethylpentyl)-4-nitroso-aniline
IUPAC Name: N-(5-methylhexan-2-yl)-4-nitrosoaniline
SYSTEMATIC NAME: N-(5-methylhexan-2-yl)-4-nitroso-aniline
MOLECULAR FORMULA: C13H20N2O
MOLECULAR WEIGHT: 220.3107
SMILES: CC(C)CCC(C)NC1=CC=C(C=C1)N=O
Structure:
CAS RN: 66096-03-5
CAS Name: 5-[3-[2-hexadecoxy-5-(methylsulfamoyl)anilino]-1,3-dioxopropyl]-2-methoxybenzenesulfonic acid
OPENEYE Name: 5-[3-[2-hexadecoxy-5-(methylsulfamoyl)anilino]-3-oxo-propanoyl]-2-methoxy-benzenesulfonic acid
IUPAC Name: 5-[3-[2-hexadecoxy-5-(methylsulfamoyl)anilino]-3-oxopropanoyl]-2-methoxybenzenesulfonic acid
SYSTEMATIC NAME: 5-[3-[[2-hexadecoxy-5-(methylsulfamoyl)phenyl]amino]-3-oxidanylidene-propanoyl]-2-methoxy-benzenesulfonic acid
MOLECULAR FORMULA: C33H50N2O9S2
MOLECULAR WEIGHT: 682.8881
SMILES: CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NC)NC(=O)CC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)O
Structure:
CAS RN: 66095-81-6
CAS Name: 2-(2-methoxy-4-nitroanilino)ethanol
OPENEYE Name: 2-(2-methoxy-4-nitro-anilino)ethanol
IUPAC Name: 2-(2-methoxy-4-nitroanilino)ethanol
SYSTEMATIC NAME: 2-[(2-methoxy-4-nitro-phenyl)amino]ethanol
MOLECULAR FORMULA: C9H12N2O4
MOLECULAR WEIGHT: 212.20258
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])NCCO
Structure:
CAS RN: 66085-16-3
CAS Name: 6-propan-2-yloxy-7H-purine
OPENEYE Name: 6-isopropoxy-7H-purine
IUPAC Name: 6-propan-2-yloxy-7H-purine
SYSTEMATIC NAME: 6-propan-2-yloxy-7H-purine
MOLECULAR FORMULA: C8H10N4O
MOLECULAR WEIGHT: 178.1912
SMILES: CC(C)OC1=NC=NC2=C1NC=N2
Structure:
CAS RN: 66052-08-2
CAS Name: 1-bromo-4-hexoxynaphthalene
OPENEYE Name: 1-bromo-4-hexoxy-naphthalene
IUPAC Name: 1-bromo-4-hexoxynaphthalene
SYSTEMATIC NAME: 1-bromanyl-4-hexoxy-naphthalene
MOLECULAR FORMULA: C16H19BrO
MOLECULAR WEIGHT: 307.22546
SMILES: CCCCCCOC1=CC=C(C2=CC=CC=C21)Br
Structure:
CAS RN: 66052-05-9
CAS Name: 4-hexoxy-1-naphthalenecarbonitrile
OPENEYE Name: 4-hexoxynaphthalene-1-carbonitrile
IUPAC Name: 4-hexoxynaphthalene-1-carbonitrile
SYSTEMATIC NAME: 4-hexoxynaphthalene-1-carbonitrile
MOLECULAR FORMULA: C17H19NO
MOLECULAR WEIGHT: 253.33886
SMILES: CCCCCCOC1=CC=C(C2=CC=CC=C21)C#N
Structure:
CAS RN: 66003-79-0
CAS Name: 2,6-dicyclopentylphenol
OPENEYE Name: 2,6-dicyclopentylphenol
IUPAC Name: 2,6-dicyclopentylphenol
SYSTEMATIC NAME: 2,6-dicyclopentylphenol
MOLECULAR FORMULA: C16H22O
MOLECULAR WEIGHT: 230.34528
SMILES: C1CCC(C1)C2=C(C(=CC=C2)C3CCCC3)O
Structure:
CAS RN: 65975-15-7
CAS Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26-tripentacontafluoro-26-iodohexacosane
OPENEYE Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26-tripentacontafluoro-26-iodo-hexacosane
IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26-tripentacontafluoro-26-iodohexacosane
SYSTEMATIC NAME: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26-tripentacontakis(fluoranyl)-26-iodanyl-hexacosane
MOLECULAR FORMULA: C26F53I
MOLECULAR WEIGHT: 1446.09804
SMILES: C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 51857-17-1
CAS Name: N-(6-aminohexyl)carbamic acid tert-butyl ester hydrochloride
OPENEYE Name: tert-butyl N-(6-aminohexyl)carbamate hydrochloride
IUPAC Name: tert-butyl N-(6-aminohexyl)carbamate hydrochloride
SYSTEMATIC NAME: tert-butyl N-(6-azanylhexyl)carbamate hydrochloride
MOLECULAR FORMULA: C11H25ClN2O2
MOLECULAR WEIGHT: 252.7814
SMILES: CC(C)(C)OC(=O)NCCCCCCN.Cl
Structure:
CAS RN: 65915-94-8
CAS Name: N-(6-aminohexyl)carbamic acid tert-butyl ester hydrochloride
OPENEYE Name: tert-butyl N-(6-aminohexyl)carbamate hydrochloride
IUPAC Name: tert-butyl N-(6-aminohexyl)carbamate hydrochloride
SYSTEMATIC NAME: tert-butyl N-(6-azanylhexyl)carbamate hydrochloride
MOLECULAR FORMULA: C11H25ClN2O2
MOLECULAR WEIGHT: 252.7814
SMILES: CC(C)(C)OC(=O)NCCCCCCN.Cl
Structure:
CAS RN: 65899-13-0
CAS Name: 3-methylnonanal
OPENEYE Name: 3-methylnonanal
IUPAC Name: 3-methylnonanal
SYSTEMATIC NAME: 3-methylnonanal
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CCCCCCC(C)CC=O
Structure:
CAS RN: 65897-42-9
CAS Name: 3-acetyl-2-(3-pyridinyl)-4-thiazolidinecarboxylic acid
OPENEYE Name: 3-acetyl-2-(3-pyridyl)thiazolidine-4-carboxylic acid
IUPAC Name: 3-acetyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid
SYSTEMATIC NAME: 3-ethanoyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid
MOLECULAR FORMULA: C11H12N2O3S
MOLECULAR WEIGHT: 252.28958
SMILES: CC(=O)N1C(CSC1C2=CN=CC=C2)C(=O)O
Structure:
CAS RN: 65848-23-9
CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-[2-(2-hydroxyethylamino)-2-oxoethoxy]-2-naphthalenecarboxamide
OPENEYE Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[2-(2-hydroxyethylamino)-2-oxo-ethoxy]naphthalene-2-carboxamide
IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalene-2-carboxamide
SYSTEMATIC NAME: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-[2-(2-hydroxyethylamino)-2-oxidanylidene-ethoxy]-1-oxidanyl-naphthalene-2-carboxamide
MOLECULAR FORMULA: C35H48N2O6
MOLECULAR WEIGHT: 592.76542
SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)OCC(=O)NCCO)O)C(C)(C)CC
Structure:
CAS RN: 65826-70-2
CAS Name: 2,5,6-trimethyl-2,3-dihydropyrazine
OPENEYE Name: 2,5,6-trimethyl-2,3-dihydropyrazine
IUPAC Name: 2,5,6-trimethyl-2,3-dihydropyrazine
SYSTEMATIC NAME: 2,5,6-trimethyl-2,3-dihydropyrazine
MOLECULAR FORMULA: C7H12N2
MOLECULAR WEIGHT: 124.18358
SMILES: CC1CN=C(C(=N1)C)C
Structure:
CAS RN: 65817-49-4
CAS Name: N'-[2-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]ethane-1,2-diamine
OPENEYE Name: N'-[2-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]ethane-1,2-diamine
IUPAC Name: N'-[2-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]ethane-1,2-diamine
SYSTEMATIC NAME: N'-[2-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]ethane-1,2-diamine
MOLECULAR FORMULA: C26H55N5
MOLECULAR WEIGHT: 437.7484
SMILES: CCCCCCCCCCCCCCCCCC1=NCCN1CCNCCNCCN
Structure:
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