CAS RN: 92220-29-6
CAS Name: 2-[2-(1-aziridinyl)ethyliminomethyl]phenolate; iron(3+); trihydroxy(oxo)-$l^{5}-chlorane
OPENEYE Name: ferric; 2-[2-(aziridin-1-yl)ethyliminomethyl]phenolate; trihydroxy(oxo)-$l^{5}-chlorane
IUPAC Name: 2-[2-(aziridin-1-yl)ethyliminomethyl]phenolate; iron(3+); trihydroxy(oxo)-$l^{5}-chlorane
SYSTEMATIC NAME: 2-[2-(aziridin-1-yl)ethyliminomethyl]phenolate; iron(3+); tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane
MOLECULAR FORMULA: C22H29ClFeN4O6+
MOLECULAR WEIGHT: 536.78686
SMILES: C1CN1CCN=CC2=CC=CC=C2[O-].C1CN1CCN=CC2=CC=CC=C2[O-].OCl(=O)(O)O.[Fe+3]
Structure:
CAS RN: 69361-80-4
CAS Name: 1-(2-chlorophenyl)-4-[(dimethylamino)methyl]-1-nonen-3-one oxime hydrochloride
OPENEYE Name: 1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-one oxime hydrochloride
IUPAC Name: (NZ)-N-[1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ylidene]hydroxylamine hydrochloride
SYSTEMATIC NAME: (NZ)-N-[1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ylidene]hydroxylamine hydrochloride
MOLECULAR FORMULA: C18H28Cl2N2O
MOLECULAR WEIGHT: 359.33372
SMILES: CCCCCC(CN(C)C)/C(=N\O)/C=CC1=CC=CC=C1Cl.Cl
Structure:
CAS RN: 69361-81-5
CAS Name: 1-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-nonen-3-one oxime hydrochloride
OPENEYE Name: 1-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-one oxime hydrochloride
IUPAC Name: (NZ)-N-[1-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ylidene]hydroxylamine hydrochloride
SYSTEMATIC NAME: (NZ)-N-[1-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ylidene]hydroxylamine hydrochloride
MOLECULAR FORMULA: C18H27Cl3N2O
MOLECULAR WEIGHT: 393.77878
SMILES: CCCCCC(CN(C)C)/C(=N\O)/C=CC1=CC(=C(C=C1)Cl)Cl.Cl
Structure:
CAS RN: 69361-82-6
CAS Name: 4-[(dimethylamino)methyl]-1-(hydroxyamino)-1-phenyl-3-nonanone oxime hydrochloride
OPENEYE Name: 4-[(dimethylamino)methyl]-1-(hydroxyamino)-1-phenyl-nonan-3-one oxime hydrochloride
IUPAC Name: (NZ)-N-[4-[(dimethylamino)methyl]-1-(hydroxyamino)-1-phenylnonan-3-ylidene]hydroxylamine hydrochloride
SYSTEMATIC NAME: N-[(3Z)-4-[(dimethylamino)methyl]-3-hydroxyimino-1-phenyl-nonyl]hydroxylamine hydrochloride
MOLECULAR FORMULA: C18H32ClN3O2
MOLECULAR WEIGHT: 357.91858
SMILES: CCCCCC(CN(C)C)/C(=N\O)/CC(C1=CC=CC=C1)NO.Cl
Structure:
CAS RN: 66678-34-0
CAS Name: 7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-4-methoxy-9-(1-oxo-2-propan-2-yloxyethyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
OPENEYE Name: 7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-9-(2-isopropoxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
IUPAC Name: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-(2-propan-2-yloxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
SYSTEMATIC NAME: 7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-propan-2-yloxyethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
MOLECULAR FORMULA: C30H36ClNO11
MOLECULAR WEIGHT: 622.05994
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)COC(C)C)O)N)O.Cl
Structure:
CAS RN: 19749-20-3
CAS Name: 4-[2-(phenoxymethyl)-4-thiazolyl]aniline hydrochloride
OPENEYE Name: 4-[2-(phenoxymethyl)thiazol-4-yl]aniline hydrochloride
IUPAC Name: 4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]aniline hydrochloride
SYSTEMATIC NAME: 4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]aniline hydrochloride
MOLECULAR FORMULA: C16H15ClN2OS
MOLECULAR WEIGHT: 318.8211
SMILES: C1=CC=C(C=C1)OCC2=NC(=CS2)C3=CC=C(C=C3)N.Cl
Structure:
CAS RN: 18110-24-2
CAS Name: tris(diethylamino)-(2,5-dimethoxyphenyl)phosphonium iodide
OPENEYE Name: tris(diethylamino)-(2,5-dimethoxyphenyl)phosphonium iodide
IUPAC Name: tris(diethylamino)-(2,5-dimethoxyphenyl)phosphanium iodide
SYSTEMATIC NAME: tris(diethylamino)-(2,5-dimethoxyphenyl)phosphanium iodide
MOLECULAR FORMULA: C20H39IN3O2P
MOLECULAR WEIGHT: 511.420791
SMILES: CCN(CC)[P+](C1=C(C=CC(=C1)OC)OC)(N(CC)CC)N(CC)CC.[I-]
Structure:
CAS RN: 63842-04-6
CAS Name: [oxo-(sulfothio)methoxy]methylbenzene; sodium
OPENEYE Name: sodium; sulfosulfanylcarbonyloxymethylbenzene
IUPAC Name: sodium; sulfosulfanylcarbonyloxymethylbenzene
SYSTEMATIC NAME: sodium; sulfosulfanylcarbonyloxymethylbenzene
MOLECULAR FORMULA: C8H8NaO5S2
MOLECULAR WEIGHT: 271.26589
SMILES: C1=CC=C(C=C1)COC(=O)SS(=O)(=O)O.[Na]
Structure:
CAS RN: 59464-15-2
CAS Name: 2-amino-5-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-pyrimidin-6-one hydrochloride
OPENEYE Name: 2-amino-5-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-pyrimidin-6-one hydrochloride
IUPAC Name: 2-amino-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-6-one hydrochloride
SYSTEMATIC NAME: 2-azanyl-5-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-pyrimidin-6-one hydrochloride
MOLECULAR FORMULA: C9H14ClN3O5
MOLECULAR WEIGHT: 279.67756
SMILES: C1=C(C(=O)NC(=N1)N)C2C(C(C(O2)CO)O)O.Cl
Structure:
CAS RN: 14126-96-6
CAS Name: acetic acid; chlororhenium
OPENEYE Name: acetic acid; chlororhenium
IUPAC Name: acetic acid; chlororhenium
SYSTEMATIC NAME: chloranylrhenium; ethanoic acid
MOLECULAR FORMULA: C8H16Cl2O8Re2
MOLECULAR WEIGHT: 683.52784
SMILES: CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cl[Re].Cl[Re]
Structure:
CAS RN: 68674-19-1
CAS Name: (7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-4-methoxy-9-(1-oxopropyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
OPENEYE Name: (7S,9S)-7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-propanoyl-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
IUPAC Name: (7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-propanoyl-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
SYSTEMATIC NAME: (7S,9S)-7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-propanoyl-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
MOLECULAR FORMULA: C28H32ClNO10
MOLECULAR WEIGHT: 578.00738
SMILES: CCC(=O)[C@]1(C[C@@H](C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)N)O.Cl
Structure:
CAS RN: 71001-24-6
CAS Name: 1-[azido(phenyl)methyl]-5-phenyltetrazole
OPENEYE Name: 1-[azido(phenyl)methyl]-5-phenyl-tetrazole
IUPAC Name: 1-[azido(phenyl)methyl]-5-phenyltetrazole
SYSTEMATIC NAME: 1-[azido(phenyl)methyl]-5-phenyl-1,2,3,4-tetrazole
MOLECULAR FORMULA: C14H11N7
MOLECULAR WEIGHT: 277.28404
SMILES: C1=CC=C(C=C1)C2=NN=NN2C(C3=CC=CC=C3)N=[N+]=[N-]
Structure:
CAS RN: 71001-25-7
CAS Name: 1-(1-azidoethyl)-5-phenyltetrazole
OPENEYE Name: 1-(1-azidoethyl)-5-phenyl-tetrazole
IUPAC Name: 1-(1-azidoethyl)-5-phenyltetrazole
SYSTEMATIC NAME: 1-(1-azidoethyl)-5-phenyl-1,2,3,4-tetrazole
MOLECULAR FORMULA: C9H9N7
MOLECULAR WEIGHT: 215.21466
SMILES: CC(N=[N+]=[N-])N1C(=NN=N1)C2=CC=CC=C2
Structure:
CAS RN: 58277-44-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H26N2O
MOLECULAR WEIGHT: 394.50814
SMILES: CC1(CCCC2=C1[N+]3=C(C=C2C4=CC=CC=C4)C5=C(C=C3)C6=CC=CC=C6N5)C.[OH-]
Structure:
CAS RN: 70844-06-3
CAS Name: (7S,9S)-7-[[4-[bis(phenylmethyl)amino]-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
OPENEYE Name: (7S,9S)-7-[4-(dibenzylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
IUPAC Name: (7S,9S)-7-[4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
SYSTEMATIC NAME: (7S,9S)-7-[4-[bis(phenylmethyl)amino]-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-(1-hydroxyethyl)-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
MOLECULAR FORMULA: C41H44ClNO10
MOLECULAR WEIGHT: 746.24176
SMILES: CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(C)O)O)N(CC6=CC=CC=C6)CC7=CC=CC=C7)O.Cl
Structure:
CAS RN: 78264-94-5
CAS Name: [2-[(2-amino-2-carboxyethyl)disulfanyl]-1-carboxyethyl]azanide; manganese
OPENEYE Name: [2-[(2-amino-2-carboxy-ethyl)disulfanyl]-1-carboxy-ethyl]azanide; manganese
IUPAC Name: [2-[(2-amino-2-carboxyethyl)disulfanyl]-1-carboxyethyl]azanide; manganese
SYSTEMATIC NAME: [3-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)disulfanyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanide; manganese
MOLECULAR FORMULA: C6H11MnN2O4S2-
MOLECULAR WEIGHT: 294.230589
SMILES: C(C(C(=O)O)N)SSCC(C(=O)O)[NH-].[Mn]
Structure:
CAS RN: 32594-07-3
CAS Name: zinc [1-carboxy-2-(4-hydroxyphenyl)ethyl]azanide
OPENEYE Name: zinc [1-carboxy-2-(4-hydroxyphenyl)ethyl]azanide
IUPAC Name: zinc [1-carboxy-2-(4-hydroxyphenyl)ethyl]azanide
SYSTEMATIC NAME: zinc [3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanide
MOLECULAR FORMULA: C18H20N2O6Zn
MOLECULAR WEIGHT: 425.7702
SMILES: C1=CC(=CC=C1CC(C(=O)O)[NH-])O.C1=CC(=CC=C1CC(C(=O)O)[NH-])O.[Zn+2]
Structure:
CAS RN: 15392-80-0
CAS Name: copper [1-carboxy-2-(4-hydroxyphenyl)ethyl]azanide
OPENEYE Name: copper [1-carboxy-2-(4-hydroxyphenyl)ethyl]azanide
IUPAC Name: copper [1-carboxy-2-(4-hydroxyphenyl)ethyl]azanide
SYSTEMATIC NAME: copper [3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanide
MOLECULAR FORMULA: C18H20CuN2O6
MOLECULAR WEIGHT: 423.9072
SMILES: C1=CC(=CC=C1CC(C(=O)O)[NH-])O.C1=CC(=CC=C1CC(C(=O)O)[NH-])O.[Cu+2]
Structure:
CAS RN: 32680-74-3
CAS Name: [1-carboxy-2-(4-hydroxyphenyl)ethyl]azanide; cobalt(2+)
OPENEYE Name: cobaltous [1-carboxy-2-(4-hydroxyphenyl)ethyl]azanide
IUPAC Name: [1-carboxy-2-(4-hydroxyphenyl)ethyl]azanide; cobalt(2+)
SYSTEMATIC NAME: cobalt(2+); [3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanide
MOLECULAR FORMULA: C18H20CoN2O6
MOLECULAR WEIGHT: 419.2944
SMILES: C1=CC(=CC=C1CC(C(=O)O)[NH-])O.C1=CC(=CC=C1CC(C(=O)O)[NH-])O.[Co+2]
Structure:
CAS RN: 68487-80-9
CAS Name: [1-carboxy-2-(4-hydroxyphenyl)ethyl]azanide; iron(2+)
OPENEYE Name: ferrous [1-carboxy-2-(4-hydroxyphenyl)ethyl]azanide
IUPAC Name: [1-carboxy-2-(4-hydroxyphenyl)ethyl]azanide; iron(2+)
SYSTEMATIC NAME: [3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanide; iron(2+)
MOLECULAR FORMULA: C18H20FeN2O6
MOLECULAR WEIGHT: 416.2062
SMILES: C1=CC(=CC=C1CC(C(=O)O)[NH-])O.C1=CC(=CC=C1CC(C(=O)O)[NH-])O.[Fe+2]
Structure:
CAS RN: 58277-45-5
CAS Name: 4,4-dimethyl-13-phenyl-2,3-dihydro-1H-isoquinolino[2,1-a]quinolin-5-ium hydroxide
OPENEYE Name: 4,4-dimethyl-13-phenyl-2,3-dihydro-1H-isoquinolino[2,1-a]quinolin-5-ium hydroxide
IUPAC Name: 4,4-dimethyl-13-phenyl-2,3-dihydro-1H-isoquinolino[2,1-a]quinolin-5-ium hydroxide
SYSTEMATIC NAME: 4,4-dimethyl-13-phenyl-2,3-dihydro-1H-isoquinolino[2,1-a]quinolin-5-ium hydroxide
MOLECULAR FORMULA: C25H25NO
MOLECULAR WEIGHT: 355.4721
SMILES: CC1(CCCC2=C1[N+]3=C(C=C2C4=CC=CC=C4)C5=CC=CC=C5C=C3)C.[OH-]
Structure:
CAS RN: 1847-24-1
CAS Name: (2S,5R,6R)-6-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; sodium
OPENEYE Name: (2S,5R,6R)-6-[[3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; sodium
IUPAC Name: (2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; sodium
SYSTEMATIC NAME: (2S,5R,6R)-6-[[3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; sodium
MOLECULAR FORMULA: C19H17ClFN3NaO5S
MOLECULAR WEIGHT: 476.861553
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.[Na]
Structure:
CAS RN: 65273-49-6
CAS Name: 2-(1,3-dioxo-2-isoindolyl)ethyl-tris(phenylmethyl)phosphonium bromide
OPENEYE Name: tribenzyl-[2-(1,3-dioxoisoindolin-2-yl)ethyl]phosphonium bromide
IUPAC Name: tribenzyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]phosphanium bromide
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-tris(phenylmethyl)phosphanium bromide
MOLECULAR FORMULA: C31H29BrNO2P
MOLECULAR WEIGHT: 558.445221
SMILES: C1=CC=C(C=C1)C[P+](CCN2C(=O)C3=CC=CC=C3C2=O)(CC4=CC=CC=C4)CC5=CC=CC=C5.[Br-]
Structure:
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