CAS RN: 41618-54-6
CAS Name: ethane-1,2-diamine; platinum(4+); tetrabromide
OPENEYE Name: ethane-1,2-diamine; platinum(4+); tetrabromide
IUPAC Name: ethane-1,2-diamine; platinum(4+); tetrabromide
SYSTEMATIC NAME: ethane-1,2-diamine; platinum(4+); tetrabromide
MOLECULAR FORMULA: C2H8Br4N2Pt
MOLECULAR WEIGHT: 574.79232
SMILES: C(CN)N.[Br-].[Br-].[Br-].[Br-].[Pt+4]
Structure:
CAS RN: 41611-98-7
CAS Name: 3-hydroxy-7-methoxy-N-phenyl-2-naphthalenecarboxamide
OPENEYE Name: 3-hydroxy-7-methoxy-N-phenyl-naphthalene-2-carboxamide
IUPAC Name: 3-hydroxy-7-methoxy-N-phenylnaphthalene-2-carboxamide
SYSTEMATIC NAME: 7-methoxy-3-oxidanyl-N-phenyl-naphthalene-2-carboxamide
MOLECULAR FORMULA: C18H15NO3
MOLECULAR WEIGHT: 293.3166
SMILES: COC1=CC2=CC(=C(C=C2C=C1)O)C(=O)NC3=CC=CC=C3
Structure:
CAS RN: 41606-65-9
CAS Name: 4-amino-2-chloro-5-hydroxybenzenesulfonamide
OPENEYE Name: 4-amino-2-chloro-5-hydroxy-benzenesulfonamide
IUPAC Name: 4-amino-2-chloro-5-hydroxybenzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-2-chloranyl-5-oxidanyl-benzenesulfonamide
MOLECULAR FORMULA: C6H7ClN2O3S
MOLECULAR WEIGHT: 222.64938
SMILES: C1=C(C(=CC(=C1Cl)S(=O)(=O)N)O)N
Structure:
CAS RN: 41591-87-1
CAS Name: dimethyl-tetradecyl-(3-trimethoxysilylpropyl)ammonium chloride
OPENEYE Name: dimethyl-tetradecyl-(3-trimethoxysilylpropyl)ammonium chloride
IUPAC Name: dimethyl-tetradecyl-(3-trimethoxysilylpropyl)azanium chloride
SYSTEMATIC NAME: dimethyl-tetradecyl-(3-trimethoxysilylpropyl)azanium chloride
MOLECULAR FORMULA: C22H50ClNO3Si
MOLECULAR WEIGHT: 440.1758
SMILES: CCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[Cl-]
Structure:
CAS RN: 41581-87-7
CAS Name: gold(1+); 2-hydroxyethanethiolate; triethylphosphine
OPENEYE Name: gold(1+); 2-hydroxyethanethiolate; triethylphosphane
IUPAC Name: gold(1+); 2-hydroxyethanethiolate; triethylphosphane
SYSTEMATIC NAME: gold(1+); 2-oxidanylethanethiolate; triethylphosphane
MOLECULAR FORMULA: C8H20AuOPS
MOLECULAR WEIGHT: 392.249111
SMILES: CCP(CC)CC.C(C[S-])O.[Au+]
Structure:
CAS RN: 41581-85-5
CAS Name: gold(1+); hydron; 2-sulfidobutanedioate; triethylphosphine
OPENEYE Name: gold(1+); hydron; 2-sulfidobutanedioate; triethylphosphane
IUPAC Name: gold(1+); hydron; 2-sulfidobutanedioate; triethylphosphane
SYSTEMATIC NAME: gold(1+); hydron; 2-sulfanidylbutanedioate; triethylphosphane
MOLECULAR FORMULA: C10H20AuO4PS
MOLECULAR WEIGHT: 464.268711
SMILES: [H+].[H+].CCP(CC)CC.C(C(C(=O)[O-])[S-])C(=O)[O-].[Au+]
Structure:
CAS RN: 41573-36-8
CAS Name: 4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
OPENEYE Name: 4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C23H25ClN2
MOLECULAR WEIGHT: 364.911
SMILES: CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=CC=C3Cl
Structure:
CAS RN: 41570-56-3
CAS Name: 4-ethoxy-2-methyl-N-phenylaniline
OPENEYE Name: 4-ethoxy-2-methyl-N-phenyl-aniline
IUPAC Name: 4-ethoxy-2-methyl-N-phenylaniline
SYSTEMATIC NAME: 4-ethoxy-2-methyl-N-phenyl-aniline
MOLECULAR FORMULA: C15H17NO
MOLECULAR WEIGHT: 227.30158
SMILES: CCOC1=CC(=C(C=C1)NC2=CC=CC=C2)C
Structure:
CAS RN: 41544-46-1
CAS Name: 5-[hydroxy-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylic acid methyl ester
OPENEYE Name: methyl 5-[hydroxy-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylate
IUPAC Name: methyl 5-[hydroxy-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylate
SYSTEMATIC NAME: methyl 5-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-oxidanyl-methyl]-1,3-benzodioxole-4-carboxylate
MOLECULAR FORMULA: C21H21NO7
MOLECULAR WEIGHT: 399.39394
SMILES: CN1CCC2=CC3=C(C=C2C1C(C4=C(C5=C(C=C4)OCO5)C(=O)OC)O)OCO3
Structure:
CAS RN: 41544-24-5
CAS Name: N-(1-adamantyl)-2-[2-(dimethylamino)ethoxy]acetamide hydrochloride
OPENEYE Name: N-(1-adamantyl)-2-[2-(dimethylamino)ethoxy]acetamide hydrochloride
IUPAC Name: N-(1-adamantyl)-2-[2-(dimethylamino)ethoxy]acetamide hydrochloride
SYSTEMATIC NAME: N-(1-adamantyl)-2-[2-(dimethylamino)ethoxy]ethanamide hydrochloride
MOLECULAR FORMULA: C16H29ClN2O2
MOLECULAR WEIGHT: 316.86666
SMILES: CN(C)CCOCC(=O)NC12CC3CC(C1)CC(C3)C2.Cl
Structure:
CAS RN: 41538-78-7
CAS Name: 2-[(4-amino-2,5-dichlorophenyl)sulfonylamino]ethanesulfonic acid
OPENEYE Name: 2-[(4-amino-2,5-dichloro-phenyl)sulfonylamino]ethanesulfonic acid
IUPAC Name: 2-[(4-amino-2,5-dichlorophenyl)sulfonylamino]ethanesulfonic acid
SYSTEMATIC NAME: 2-[[4-azanyl-2,5-bis(chloranyl)phenyl]sulfonylamino]ethanesulfonic acid
MOLECULAR FORMULA: C8H10Cl2N2O5S2
MOLECULAR WEIGHT: 349.2114
SMILES: C1=C(C(=CC(=C1Cl)S(=O)(=O)NCCS(=O)(=O)O)Cl)N
Structure:
CAS RN: 41532-84-7
CAS Name: 1,1,2-trimethylbenzo[e]indole
OPENEYE Name: 1,1,2-trimethylbenzo[e]indole
IUPAC Name: 1,1,2-trimethylbenzo[e]indole
SYSTEMATIC NAME: 1,1,2-trimethylbenzo[e]indole
MOLECULAR FORMULA: C15H15N
MOLECULAR WEIGHT: 209.2863
SMILES: CC1=NC2=C(C1(C)C)C3=CC=CC=C3C=C2
Structure:
CAS RN: 41506-62-1
CAS Name: N-(4-acetamidophenyl)-3-hydroxy-2-naphthalenecarboxamide
OPENEYE Name: N-(4-acetamidophenyl)-3-hydroxy-naphthalene-2-carboxamide
IUPAC Name: N-(4-acetamidophenyl)-3-hydroxynaphthalene-2-carboxamide
SYSTEMATIC NAME: N-(4-acetamidophenyl)-3-oxidanyl-naphthalene-2-carboxamide
MOLECULAR FORMULA: C19H16N2O3
MOLECULAR WEIGHT: 320.34194
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O
Structure:
CAS RN: 41503-32-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H10BrNO
MOLECULAR WEIGHT: 276.1286
SMILES: CCN1C2=C3C(=C(C=C2)Br)C=CC=C3C1=O
Structure:
CAS RN: 71411-96-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H10BrNO
MOLECULAR WEIGHT: 276.1286
SMILES: CCN1C2=C3C(=C(C=C2)Br)C=CC=C3C1=O
Structure:
CAS RN: 41498-37-7
CAS Name: 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
OPENEYE Name: 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
IUPAC Name: 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SYSTEMATIC NAME: 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
MOLECULAR FORMULA: C19H23NO3
MOLECULAR WEIGHT: 313.39082
SMILES: COC1=CC=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC
Structure:
CAS RN: 47862-55-5
CAS Name: N1,N1-dibutyl-N4,N4-bis[4-(dibutylamino)phenyl]benzene-1,4-diamine
OPENEYE Name: N1,N1-dibutyl-N4,N4-bis[4-(dibutylamino)phenyl]benzene-1,4-diamine
IUPAC Name: 1-N,1-N-dibutyl-4-N,4-N-bis[4-(dibutylamino)phenyl]benzene-1,4-diamine
SYSTEMATIC NAME: N1,N1-dibutyl-N4,N4-bis[4-(dibutylamino)phenyl]benzene-1,4-diamine
MOLECULAR FORMULA: C42H66N4
MOLECULAR WEIGHT: 627.00024
SMILES: CCCCN(CCCC)C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(CCCC)CCCC)C3=CC=C(C=C3)N(CCCC)CCCC
Structure:
CAS RN: 47743-70-4
CAS Name: N4,N4-bis[4-(diethylamino)phenyl]-N1,N1-diethylbenzene-1,4-diamine
OPENEYE Name: N4,N4-bis[4-(diethylamino)phenyl]-N1,N1-diethyl-benzene-1,4-diamine
IUPAC Name: 4-N,4-N-bis[4-(diethylamino)phenyl]-1-N,1-N-diethylbenzene-1,4-diamine
SYSTEMATIC NAME: N4,N4-bis[4-(diethylamino)phenyl]-N1,N1-diethyl-benzene-1,4-diamine
MOLECULAR FORMULA: C30H42N4
MOLECULAR WEIGHT: 458.68128
SMILES: CCN(CC)C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC
Structure:
CAS RN: 41493-46-3
CAS Name: 2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
OPENEYE Name: 2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
IUPAC Name: 2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SYSTEMATIC NAME: 2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
MOLECULAR FORMULA: C10H7N3O
MOLECULAR WEIGHT: 185.18208
SMILES: C1=CC=C2C(=C1)C=CC3=NNC(=O)N32
Structure:
CAS RN: 41450-96-8
CAS Name: 2-(2-ethylhexyl)-1,4-dihydroxyanthracene-9,10-dione
OPENEYE Name: 2-(2-ethylhexyl)-1,4-dihydroxy-anthracene-9,10-dione
IUPAC Name: 2-(2-ethylhexyl)-1,4-dihydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 2-(2-ethylhexyl)-1,4-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C22H24O4
MOLECULAR WEIGHT: 352.42356
SMILES: CCCCC(CC)CC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O
Structure:
CAS RN: 41450-85-5
CAS Name: 1,3,3-trimethyl-2-methylenepyrrolo[2,3-b]pyridine
OPENEYE Name: 1,3,3-trimethyl-2-methylene-pyrrolo[2,3-b]pyridine
IUPAC Name: 1,3,3-trimethyl-2-methylidenepyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 1,3,3-trimethyl-2-methylidene-pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C11H14N2
MOLECULAR WEIGHT: 174.24226
SMILES: CC1(C(=C)N(C2=C1C=CC=N2)C)C
Structure:
CAS RN: 41450-78-6
CAS Name: 1,3-diethyl-2-methyl-2H-imidazo[4,5-b]quinoxaline; 4-methylbenzenesulfonate
OPENEYE Name: 1,3-diethyl-2-methyl-2H-imidazo[4,5-b]quinoxaline; 4-methylbenzenesulfonate
IUPAC Name: 1,3-diethyl-2-methyl-2H-imidazo[4,5-b]quinoxaline; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 1,3-diethyl-2-methyl-2H-imidazo[4,5-b]quinoxaline; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C21H25N4O3S-
MOLECULAR WEIGHT: 413.5132
SMILES: CCN1C(N(C2=NC3=CC=CC=C3N=C21)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 41450-77-5
CAS Name: 3-(3-formyl-2-phenyl-1-indolyl)propanenitrile
OPENEYE Name: 3-(3-formyl-2-phenyl-indol-1-yl)propanenitrile
IUPAC Name: 3-(3-formyl-2-phenylindol-1-yl)propanenitrile
SYSTEMATIC NAME: 3-(3-methanoyl-2-phenyl-indol-1-yl)propanenitrile
MOLECULAR FORMULA: C18H14N2O
MOLECULAR WEIGHT: 274.31656
SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2CCC#N)C=O
Structure:
CAS RN: 41438-38-4
CAS Name: pyridine-2,4-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl pyridine-2,4-dicarboxylate
IUPAC Name: diethyl pyridine-2,4-dicarboxylate
SYSTEMATIC NAME: diethyl pyridine-2,4-dicarboxylate
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: CCOC(=O)C1=CC(=NC=C1)C(=O)OCC
Structure:
CAS RN: 41436-48-0
CAS Name: 1-[(1R,2R)-2,6,6-trimethyl-1-cyclohex-3-enyl]ethanone
OPENEYE Name: 1-[(1R,2R)-2,6,6-trimethylcyclohex-3-en-1-yl]ethanone
IUPAC Name: 1-[(1R,2R)-2,6,6-trimethylcyclohex-3-en-1-yl]ethanone
SYSTEMATIC NAME: 1-[(1R,2R)-2,6,6-trimethylcyclohex-3-en-1-yl]ethanone
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: C[C@@H]1C=CCC([C@@H]1C(=O)C)(C)C
Structure:
CAS RN: 41435-93-2
CAS Name: 1-[(1R,2S)-2,6,6-trimethyl-1-cyclohex-3-enyl]ethanone
OPENEYE Name: 1-[(1R,2S)-2,6,6-trimethylcyclohex-3-en-1-yl]ethanone
IUPAC Name: 1-[(1R,2S)-2,6,6-trimethylcyclohex-3-en-1-yl]ethanone
SYSTEMATIC NAME: 1-[(1R,2S)-2,6,6-trimethylcyclohex-3-en-1-yl]ethanone
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: C[C@H]1C=CCC([C@@H]1C(=O)C)(C)C
Structure:
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