CAS RN: 41122-71-8
CAS Name: 4-(4-heptylphenyl)benzonitrile
OPENEYE Name: 4-(4-heptylphenyl)benzonitrile
IUPAC Name: 4-(4-heptylphenyl)benzonitrile
SYSTEMATIC NAME: 4-(4-heptylphenyl)benzenecarbonitrile
MOLECULAR FORMULA: C20H23N
MOLECULAR WEIGHT: 277.40332
SMILES: CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
Structure:
CAS RN: 41117-77-5
CAS Name: 2-(1-oxobutyl)butanedioic acid diethyl ester
OPENEYE Name: diethyl 2-butanoylbutanedioate
IUPAC Name: diethyl 2-butanoylbutanedioate
SYSTEMATIC NAME: diethyl 2-butanoylbutanedioate
MOLECULAR FORMULA: C12H20O5
MOLECULAR WEIGHT: 244.2842
SMILES: CCCC(=O)C(CC(=O)OCC)C(=O)OCC
Structure:
CAS RN: 41111-85-7
CAS Name: acetic acid [4-[(cyclohexylamino)-oxomethyl]-2-(4-methoxyphenyl)-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-yl] ester
OPENEYE Name: [4-(cyclohexylcarbamoyl)-2-(4-methoxyphenyl)-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-yl] acetate
IUPAC Name: [4-(cyclohexylcarbamoyl)-2-(4-methoxyphenyl)-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-yl] acetate
SYSTEMATIC NAME: [4-(cyclohexylcarbamoyl)-2-(4-methoxyphenyl)-6-oxidanylidene-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-yl] ethanoate
MOLECULAR FORMULA: C22H27NO8
MOLECULAR WEIGHT: 433.45168
SMILES: CC(=O)OC1C2C(C(OC(O2)C3=CC=C(C=C3)OC)C(=O)NC4CCCCC4)OC1=O
Structure:
CAS RN: 41105-35-5
CAS Name: 1-chloro-9,10-bis(2-phenylethynyl)anthracene
OPENEYE Name: 1-chloro-9,10-bis(2-phenylethynyl)anthracene
IUPAC Name: 1-chloro-9,10-bis(2-phenylethynyl)anthracene
SYSTEMATIC NAME: 1-chloranyl-9,10-bis(2-phenylethynyl)anthracene
MOLECULAR FORMULA: C30H17Cl
MOLECULAR WEIGHT: 412.90898
SMILES: C1=CC=C(C=C1)C#CC2=C3C=CC=C(C3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5)Cl
Structure:
CAS RN: 41094-24-0
CAS Name: (3S,4R,5S)-3-amino-4,5-dihydroxyhexanal
OPENEYE Name: (3S,4R,5S)-3-amino-4,5-dihydroxy-hexanal
IUPAC Name: (3S,4R,5S)-3-amino-4,5-dihydroxyhexanal
SYSTEMATIC NAME: (3S,4R,5S)-3-azanyl-4,5-bis(oxidanyl)hexanal
MOLECULAR FORMULA: C6H13NO3
MOLECULAR WEIGHT: 147.17232
SMILES: C[C@@H]([C@@H]([C@H](CC=O)N)O)O
Structure:
CAS RN: 41078-06-2
CAS Name: 2-cyano-N-(ethylcarbamoyl)acetamide
OPENEYE Name: 2-cyano-N-(ethylcarbamoyl)acetamide
IUPAC Name: 2-cyano-N-(ethylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-cyano-N-(ethylcarbamoyl)ethanamide
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: CCNC(=O)NC(=O)CC#N
Structure:
CAS RN: 41051-80-3
CAS Name: N,N-diethyl-3-trimethoxysilyl-1-propanamine
OPENEYE Name: N,N-diethyl-3-trimethoxysilyl-propan-1-amine
IUPAC Name: N,N-diethyl-3-trimethoxysilylpropan-1-amine
SYSTEMATIC NAME: N,N-diethyl-3-trimethoxysilyl-propan-1-amine
MOLECULAR FORMULA: C10H25NO3Si
MOLECULAR WEIGHT: 235.3959
SMILES: CCN(CC)CCC[Si](OC)(OC)OC
Structure:
CAS RN: 41034-83-7
CAS Name: 3-(9-anthracenyl)propanoic acid
OPENEYE Name: 3-(9-anthryl)propanoic acid
IUPAC Name: 3-anthracen-9-ylpropanoic acid
SYSTEMATIC NAME: 3-anthracen-9-ylpropanoic acid
MOLECULAR FORMULA: C17H14O2
MOLECULAR WEIGHT: 250.29186
SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CCC(=O)O
Structure:
CAS RN: 41016-61-9
CAS Name: trisodium 7-aminonaphthalene-1,3,6-trisulfonate
OPENEYE Name: trisodium 7-aminonaphthalene-1,3,6-trisulfonate
IUPAC Name: trisodium 7-aminonaphthalene-1,3,6-trisulfonate
SYSTEMATIC NAME: trisodium 7-azanylnaphthalene-1,3,6-trisulfonate
MOLECULAR FORMULA: C10H6NNa3O9S3
MOLECULAR WEIGHT: 449.32025
SMILES: C1=C2C=C(C=C(C2=CC(=C1S(=O)(=O)[O-])N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 54914-98-6
CAS Name: trisodium 7-aminonaphthalene-1,3,6-trisulfonate
OPENEYE Name: trisodium 7-aminonaphthalene-1,3,6-trisulfonate
IUPAC Name: trisodium 7-aminonaphthalene-1,3,6-trisulfonate
SYSTEMATIC NAME: trisodium 7-azanylnaphthalene-1,3,6-trisulfonate
MOLECULAR FORMULA: C10H6NNa3O9S3
MOLECULAR WEIGHT: 449.32025
SMILES: C1=C2C=C(C=C(C2=CC(=C1S(=O)(=O)[O-])N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 41011-48-7
CAS Name: disodium 3-[4-[(4-amino-9,10-dioxo-3-sulfonato-1-anthracenyl)amino]phenoxy]sulfonylbenzoate
OPENEYE Name: disodium 3-[4-[(4-amino-9,10-dioxo-3-sulfonato-1-anthryl)amino]phenoxy]sulfonylbenzoate
IUPAC Name: disodium 3-[4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]phenoxy]sulfonylbenzoate
SYSTEMATIC NAME: disodium 3-[4-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]amino]phenoxy]sulfonylbenzoate
MOLECULAR FORMULA: C27H16N2Na2O10S2
MOLECULAR WEIGHT: 638.53288
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC(=C5)C(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]
Structure:
CAS RN: 40979-91-7
CAS Name: 1-(3-hydroxy-4-methoxyphenyl)ethane-1,2-diol
OPENEYE Name: 1-(3-hydroxy-4-methoxy-phenyl)ethane-1,2-diol
IUPAC Name: 1-(3-hydroxy-4-methoxyphenyl)ethane-1,2-diol
SYSTEMATIC NAME: 1-(4-methoxy-3-oxidanyl-phenyl)ethane-1,2-diol
MOLECULAR FORMULA: C9H12O4
MOLECULAR WEIGHT: 184.18918
SMILES: COC1=C(C=C(C=C1)C(CO)O)O
Structure:
CAS RN: 40979-78-0
CAS Name: 3-(2-amino-1-hydroxyethyl)-1H-indol-5-ol
OPENEYE Name: 3-(2-amino-1-hydroxy-ethyl)-1H-indol-5-ol
IUPAC Name: 3-(2-amino-1-hydroxyethyl)-1H-indol-5-ol
SYSTEMATIC NAME: 3-(2-azanyl-1-oxidanyl-ethyl)-1H-indol-5-ol
MOLECULAR FORMULA: C10H12N2O2
MOLECULAR WEIGHT: 192.21448
SMILES: C1=CC2=C(C=C1O)C(=CN2)C(CN)O
Structure:
CAS RN: 40962-37-6
CAS Name: (2-methoxy-2-oxoethyl)phosphonic acid
OPENEYE Name: (2-methoxy-2-oxo-ethyl)phosphonic acid
IUPAC Name: (2-methoxy-2-oxoethyl)phosphonic acid
SYSTEMATIC NAME: (2-methoxy-2-oxidanylidene-ethyl)phosphonic acid
MOLECULAR FORMULA: C3H7O5P
MOLECULAR WEIGHT: 154.058441
SMILES: COC(=O)CP(=O)(O)O
Structure:
CAS RN: 40957-88-8
CAS Name: 5-amino-2-(aminomethyl)-2-hydroxyhexanedioic acid
OPENEYE Name: 5-amino-2-(aminomethyl)-2-hydroxy-hexanedioic acid
IUPAC Name: 5-amino-2-(aminomethyl)-2-hydroxyhexanedioic acid
SYSTEMATIC NAME: 2-(aminomethyl)-5-azanyl-2-oxidanyl-hexanedioic acid
MOLECULAR FORMULA: C7H14N2O5
MOLECULAR WEIGHT: 206.19646
SMILES: C(CC(CN)(C(=O)O)O)C(C(=O)O)N
Structure:
CAS RN: 40957-85-5
CAS Name: molybdenum; oxygen(2-); hydrate
OPENEYE Name: molybdenum; oxygen(2-); hydrate
IUPAC Name: molybdenum; oxygen(2-); hydrate
SYSTEMATIC NAME: molybdenum; oxygen(2-); hydrate
MOLECULAR FORMULA: H2MoO2-2
MOLECULAR WEIGHT: 129.95468
SMILES: O.[O-2].[Mo]
Structure:
CAS RN: 40953-34-2
CAS Name: 2-amino-1H-imidazole-4,5-dicarbonitrile
OPENEYE Name: 2-amino-1H-imidazole-4,5-dicarbonitrile
IUPAC Name: 2-amino-1H-imidazole-4,5-dicarbonitrile
SYSTEMATIC NAME: 2-azanyl-1H-imidazole-4,5-dicarbonitrile
MOLECULAR FORMULA: C5H3N5
MOLECULAR WEIGHT: 133.11082
SMILES: C(#N)C1=C(N=C(N1)N)C#N
Structure:
CAS RN: 40952-46-3
CAS Name: N,N,2-trimethyl-1-phenyl-2-propanamine
OPENEYE Name: N,N,2-trimethyl-1-phenyl-propan-2-amine
IUPAC Name: N,N,2-trimethyl-1-phenylpropan-2-amine
SYSTEMATIC NAME: N,N,2-trimethyl-1-phenyl-propan-2-amine
MOLECULAR FORMULA: C12H19N
MOLECULAR WEIGHT: 177.28596
SMILES: CC(C)(CC1=CC=CC=C1)N(C)C
Structure:
CAS RN: 40951-13-1
CAS Name: 11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthren-17-ol
OPENEYE Name: 11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthren-17-ol
IUPAC Name: 11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: 11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C18H16O
MOLECULAR WEIGHT: 248.31904
SMILES: CC1=C2C(=C3CCC(C3=C1)O)C=CC4=CC=CC=C42
Structure:
CAS RN: 40948-42-3
CAS Name: bis(3-aminopropyl)-[[3-[1-[4-[4-[[2-[5-[[bis(3-aminopropyl)-methylammonio]methyl]-2-methoxyphenyl]azo-1,3-dioxobutyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]azo-4-methoxyphenyl]methyl]-methylammonium dichloride
OPENEYE Name: bis(3-aminopropyl)-[[3-[1-[[4-[4-[[2-[5-[[bis(3-aminopropyl)-methyl-ammonio]methyl]-2-methoxy-phenyl]azo-3-oxo-butanoyl]amino]-3-methyl-phenyl]-2-methyl-phenyl]carbamoyl]-2-oxo-propyl]azo-4-methoxy-phenyl]methyl]-methyl-ammonium dichloride
IUPAC Name: bis(3-aminopropyl)-[[3-[[1-[4-[4-[[2-[[5-[[bis(3-aminopropyl)-methylazaniumyl]methyl]-2-methoxyphenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-methoxyphenyl]methyl]-methylazanium dichloride
SYSTEMATIC NAME: bis(3-azanylpropyl)-[[3-[[1-[[4-[4-[[2-[[5-[[bis(3-azanylpropyl)-methyl-azaniumyl]methyl]-2-methoxy-phenyl]diazenyl]-3-oxidanylidene-butanoyl]amino]-3-methyl-phenyl]-2-methyl-phenyl]amino]-1,3-bis(oxidanylidene)butan-2-yl]diazenyl]-4-methoxy-phenyl]methyl
MOLECULAR FORMULA: C52H76Cl2N12O6
MOLECULAR WEIGHT: 1036.14264
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=CC(=C3)C[N+](C)(CCCN)CCCN)OC)C)NC(=O)C(C(=O)C)N=NC4=C(C=CC(=C4)C[N+](C)(CCCN)CCCN)OC.[Cl-].[Cl-]
Structure:
CAS RN: 77263-03-7
CAS Name: bis(3-aminopropyl)-[[3-[1-[4-[4-[[2-[5-[[bis(3-aminopropyl)-methylammonio]methyl]-2-methoxyphenyl]azo-1,3-dioxobutyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]azo-4-methoxyphenyl]methyl]-methylammonium dichloride
OPENEYE Name: bis(3-aminopropyl)-[[3-[1-[[4-[4-[[2-[5-[[bis(3-aminopropyl)-methyl-ammonio]methyl]-2-methoxy-phenyl]azo-3-oxo-butanoyl]amino]-3-methyl-phenyl]-2-methyl-phenyl]carbamoyl]-2-oxo-propyl]azo-4-methoxy-phenyl]methyl]-methyl-ammonium dichloride
IUPAC Name: bis(3-aminopropyl)-[[3-[[1-[4-[4-[[2-[[5-[[bis(3-aminopropyl)-methylazaniumyl]methyl]-2-methoxyphenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-methoxyphenyl]methyl]-methylazanium dichloride
SYSTEMATIC NAME: bis(3-azanylpropyl)-[[3-[[1-[[4-[4-[[2-[[5-[[bis(3-azanylpropyl)-methyl-azaniumyl]methyl]-2-methoxy-phenyl]diazenyl]-3-oxidanylidene-butanoyl]amino]-3-methyl-phenyl]-2-methyl-phenyl]amino]-1,3-bis(oxidanylidene)butan-2-yl]diazenyl]-4-methoxy-phenyl]methyl
MOLECULAR FORMULA: C52H76Cl2N12O6
MOLECULAR WEIGHT: 1036.14264
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=CC(=C3)C[N+](C)(CCCN)CCCN)OC)C)NC(=O)C(C(=O)C)N=NC4=C(C=CC(=C4)C[N+](C)(CCCN)CCCN)OC.[Cl-].[Cl-]
Structure:
CAS RN: 40948-32-1
CAS Name: (3-amino-4-methoxyphenyl)methyl-bis(3-formamidopropyl)-methylammonium chloride
OPENEYE Name: (3-amino-4-methoxy-phenyl)methyl-bis(3-formamidopropyl)-methyl-ammonium chloride
IUPAC Name: (3-amino-4-methoxyphenyl)methyl-bis(3-formamidopropyl)-methylazanium chloride
SYSTEMATIC NAME: (3-azanyl-4-methoxy-phenyl)methyl-bis(3-formamidopropyl)-methyl-azanium chloride
MOLECULAR FORMULA: C17H29ClN4O3
MOLECULAR WEIGHT: 372.89016
SMILES: C[N+](CCCNC=O)(CCCNC=O)CC1=CC(=C(C=C1)OC)N.[Cl-]
Structure:
CAS RN: 40941-53-5
CAS Name: 7-chloro-4-methylquinoline
OPENEYE Name: 7-chloro-4-methyl-quinoline
IUPAC Name: 7-chloro-4-methylquinoline
SYSTEMATIC NAME: 7-chloranyl-4-methyl-quinoline
MOLECULAR FORMULA: C10H8ClN
MOLECULAR WEIGHT: 177.63022
SMILES: CC1=C2C=CC(=CC2=NC=C1)Cl
Structure:
CAS RN: 40911-41-9
CAS Name: 1-[dichloromethyl-(4-nitrophenoxy)phosphoryl]oxy-4-nitrobenzene
OPENEYE Name: 1-[dichloromethyl-(4-nitrophenoxy)phosphoryl]oxy-4-nitro-benzene
IUPAC Name: 1-[dichloromethyl-(4-nitrophenoxy)phosphoryl]oxy-4-nitrobenzene
SYSTEMATIC NAME: 1-[bis(chloranyl)methyl-(4-nitrophenoxy)phosphoryl]oxy-4-nitro-benzene
MOLECULAR FORMULA: C13H9Cl2N2O7P
MOLECULAR WEIGHT: 407.099521
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(C(Cl)Cl)OC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
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