CAS RN: 7464-90-6
CAS Name: 2,3-diaminopropanoic acid butyl ester hydrochloride
OPENEYE Name: butyl 2,3-diaminopropanoate hydrochloride
IUPAC Name: butyl 2,3-diaminopropanoate hydrochloride
SYSTEMATIC NAME: butyl 2,3-bis(azanyl)propanoate hydrochloride
MOLECULAR FORMULA: C7H17ClN2O2
MOLECULAR WEIGHT: 196.67508
SMILES: CCCCOC(=O)C(CN)N.Cl
Structure:
CAS RN: 7404-66-2
CAS Name: 2-amino-1-thiophen-2-ylethanol hydrochloride
OPENEYE Name: 2-amino-1-(2-thienyl)ethanol hydrochloride
IUPAC Name: 2-amino-1-thiophen-2-ylethanol hydrochloride
SYSTEMATIC NAME: 2-azanyl-1-thiophen-2-yl-ethanol hydrochloride
MOLECULAR FORMULA: C6H10ClNOS
MOLECULAR WEIGHT: 179.6677
SMILES: C1=CSC(=C1)C(CN)O.Cl
Structure:
CAS RN: 7404-62-8
CAS Name: 1-(9-chloro-3-phenanthrenyl)-2-(diheptylamino)ethanone hydrochloride
OPENEYE Name: 1-(9-chloro-3-phenanthryl)-2-(diheptylamino)ethanone hydrochloride
IUPAC Name: 1-(9-chlorophenanthren-3-yl)-2-(diheptylamino)ethanone hydrochloride
SYSTEMATIC NAME: 1-(9-chloranylphenanthren-3-yl)-2-(diheptylamino)ethanone hydrochloride
MOLECULAR FORMULA: C30H41Cl2NO
MOLECULAR WEIGHT: 502.55864
SMILES: CCCCCCCN(CCCCCCC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl.Cl
Structure:
CAS RN: 7404-61-7
CAS Name: 1-(9-chloro-3-phenanthrenyl)-2-(diethylamino)ethanone hydrochloride
OPENEYE Name: 1-(9-chloro-3-phenanthryl)-2-(diethylamino)ethanone hydrochloride
IUPAC Name: 1-(9-chlorophenanthren-3-yl)-2-(diethylamino)ethanone hydrochloride
SYSTEMATIC NAME: 1-(9-chloranylphenanthren-3-yl)-2-(diethylamino)ethanone hydrochloride
MOLECULAR FORMULA: C20H21Cl2NO
MOLECULAR WEIGHT: 362.29284
SMILES: CCN(CC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl.Cl
Structure:
CAS RN: 7404-60-6
CAS Name: 1-(9-chloro-3-phenanthrenyl)-3-(dihexylamino)-1-propanone hydrochloride
OPENEYE Name: 1-(9-chloro-3-phenanthryl)-3-(dihexylamino)propan-1-one hydrochloride
IUPAC Name: 1-(9-chlorophenanthren-3-yl)-3-(dihexylamino)propan-1-one hydrochloride
SYSTEMATIC NAME: 1-(9-chloranylphenanthren-3-yl)-3-(dihexylamino)propan-1-one hydrochloride
MOLECULAR FORMULA: C29H39Cl2NO
MOLECULAR WEIGHT: 488.53206
SMILES: CCCCCCN(CCCCCC)CCC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl.Cl
Structure:
CAS RN: 7702-23-0
CAS Name: 3-[2-(diethylamino)ethyl]-1,7-dimethylpurine-2,6-dione hydrochloride
OPENEYE Name: 3-[2-(diethylamino)ethyl]-1,7-dimethyl-purine-2,6-dione hydrochloride
IUPAC Name: 3-[2-(diethylamino)ethyl]-1,7-dimethylpurine-2,6-dione hydrochloride
SYSTEMATIC NAME: 3-[2-(diethylamino)ethyl]-1,7-dimethyl-purine-2,6-dione hydrochloride
MOLECULAR FORMULA: C13H22ClN5O2
MOLECULAR WEIGHT: 315.79908
SMILES: CCN(CC)CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C.Cl
Structure:
CAS RN: 7499-81-2
CAS Name: ammonia; 5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: ammonia; 5-(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: azane; 5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: azane; 5-[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C12H17N5O6
MOLECULAR WEIGHT: 327.29328
SMILES: CN1C(=O)C(C(=O)N(C1=O)C)C2C(=O)N(C(=O)N(C2=O)C)C.N
Structure:
CAS RN: 7702-19-4
CAS Name: 5-amino-3-methyl-N-(phenylmethyl)-4-imidazolecarboxamide chloride
OPENEYE Name: 5-amino-N-benzyl-3-methyl-imidazole-4-carboxamide chloride
IUPAC Name: 5-amino-N-benzyl-3-methylimidazole-4-carboxamide chloride
SYSTEMATIC NAME: 5-azanyl-3-methyl-N-(phenylmethyl)imidazole-4-carboxamide chloride
MOLECULAR FORMULA: C12H14ClN4O-
MOLECULAR WEIGHT: 265.71876
SMILES: CN1C=NC(=C1C(=O)NCC2=CC=CC=C2)N.[Cl-]
Structure:
CAS RN: 7468-62-4
CAS Name: 4-chloro-1,3-dimethylimidazol-1-ium bromide
OPENEYE Name: 4-chloro-1,3-dimethyl-imidazol-1-ium bromide
IUPAC Name: 4-chloro-1,3-dimethylimidazol-1-ium bromide
SYSTEMATIC NAME: 4-chloranyl-1,3-dimethyl-imidazol-1-ium bromide
MOLECULAR FORMULA: C5H8BrClN2
MOLECULAR WEIGHT: 211.48742
SMILES: CN1C=[N+](C=C1Cl)C.[Br-]
Structure:
CAS RN: 88821-71-0
CAS Name: 2-cyclohexylpiperidin-1-ide; 6-cyclohexyl-2H-pyridin-1-ide; platinum(4+)
OPENEYE Name: 2-cyclohexylpiperidin-1-ide; 6-cyclohexyl-2H-pyridin-1-ide; platinum(4+)
IUPAC Name: 2-cyclohexylpiperidin-1-ide; 6-cyclohexyl-2H-pyridin-1-ide; platinum(4+)
SYSTEMATIC NAME: 2-cyclohexylpiperidin-1-ide; 6-cyclohexyl-2H-pyridin-1-ide; platinum(4+)
MOLECULAR FORMULA: C22H34N2Pt
MOLECULAR WEIGHT: 521.59676
SMILES: C1CCC([CH-]C1)C2CCCC[N-]2.C1CCC([CH-]C1)C2=CC=CC[N-]2.[Pt+4]
Structure:
CAS RN: 14040-04-1
CAS Name: copper; 2-hydroxy-3,5-diiodobenzoic acid
OPENEYE Name: copper; 2-hydroxy-3,5-diiodo-benzoic acid
IUPAC Name: copper; 2-hydroxy-3,5-diiodobenzoic acid
SYSTEMATIC NAME: 3,5-bis(iodanyl)-2-oxidanyl-benzoic acid; copper
MOLECULAR FORMULA: C14H8CuI4O6
MOLECULAR WEIGHT: 843.3736
SMILES: C1=C(C=C(C(=C1I)O)C(=O)O)I.C1=C(C=C(C(=C1I)O)C(=O)O)I.[Cu]
Structure:
CAS RN: 88222-21-3
CAS Name: N-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-ylmethyl)-2-propanamine chloride
OPENEYE Name: N-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-ylmethyl)propan-2-amine chloride
IUPAC Name: N-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-ylmethyl)propan-2-amine chloride
SYSTEMATIC NAME: N-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-ylmethyl)propan-2-amine chloride
MOLECULAR FORMULA: C16H19ClNO2-
MOLECULAR WEIGHT: 292.78056
SMILES: CC(C)NCC1COC2=CC3=CC=CC=C3C=C2O1.[Cl-]
Structure:
CAS RN: 23935-13-9
CAS Name: 3-(dimethylamino)-1-(2,5-dimethylphenyl)-1-propanone chloride
OPENEYE Name: 3-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one chloride
IUPAC Name: 3-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one chloride
SYSTEMATIC NAME: 3-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one chloride
MOLECULAR FORMULA: C13H19ClNO-
MOLECULAR WEIGHT: 240.74906
SMILES: CC1=CC(=C(C=C1)C)C(=O)CCN(C)C.[Cl-]
Structure:
CAS RN: 85048-88-0
CAS Name: 5-amino-5-hydroxy-1,3-diazinane-2,4,6-trione chloride
OPENEYE Name: 5-amino-5-hydroxy-hexahydropyrimidine-2,4,6-trione chloride
IUPAC Name: 5-amino-5-hydroxy-1,3-diazinane-2,4,6-trione chloride
SYSTEMATIC NAME: 5-azanyl-5-oxidanyl-1,3-diazinane-2,4,6-trione chloride
MOLECULAR FORMULA: C4H5ClN3O4-
MOLECULAR WEIGHT: 194.5532
SMILES: C1(=O)C(C(=O)NC(=O)N1)(N)O.[Cl-]
Structure:
CAS RN: 76871-75-5
CAS Name: 4-[2-[2-chloro-3-[(2E)-2-(2-phenyl-1-benzothiopyran-4-ylidene)ethylidene]-1-cyclohexenyl]ethenyl]-2-phenyl-1-benzothiopyrylium perchlorate
OPENEYE Name: 4-[2-[2-chloro-3-[(2E)-2-(2-phenylthiochromen-4-ylidene)ethylidene]cyclohexen-1-yl]vinyl]-2-phenyl-thiochromenylium perchlorate
IUPAC Name: 4-[2-[2-chloro-3-[(2E)-2-(2-phenylthiochromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylthiochromenylium perchlorate
SYSTEMATIC NAME: 4-[2-[2-chloranyl-3-[(2E)-2-(2-phenylthiochromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenyl-thiochromenylium perchlorate
MOLECULAR FORMULA: C40H30Cl2O4S2
MOLECULAR WEIGHT: 709.6998
SMILES: C1CC(=C(C(=C/C=C/2\C=C(SC3=CC=CC=C32)C4=CC=CC=C4)C1)Cl)C=CC5=CC(=[S+]C6=CC=CC=C65)C7=CC=CC=C7.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 17631-67-3
CAS Name: gadolinium; 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione
OPENEYE Name: gadolinium; 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-octane-3,5-dione
IUPAC Name: gadolinium; 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione
SYSTEMATIC NAME: gadolinium; 6,6,7,7,8,8,8-heptakis(fluoranyl)-2,2-dimethyl-octane-3,5-dione
MOLECULAR FORMULA: C30H33F21GdO6
MOLECULAR WEIGHT: 1045.795887
SMILES: CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.[Gd]
Structure:
CAS RN: 23319-63-3
CAS Name: N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine; hydrogen peroxide; oxomolybdenum; pyridine
OPENEYE Name: N-[bis(dimethylamino)phosphoryl]-N-methyl-methanamine; hydrogen peroxide; oxomolybdenum; pyridine
IUPAC Name: N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine; hydrogen peroxide; oxomolybdenum; pyridine
SYSTEMATIC NAME: N-[bis(dimethylamino)phosphoryl]-N-methyl-methanamine; hydrogen peroxide; oxidanylidenemolybdenum; pyridine
MOLECULAR FORMULA: C11H27MoN4O6P
MOLECULAR WEIGHT: 438.269041
SMILES: CN(C)P(=O)(N(C)C)N(C)C.C1=CC=NC=C1.OO.OO.O=[Mo]
Structure:
CAS RN: 55354-87-5
CAS Name: acetic acid; ruthenium monohydride; triphenylphosphine
OPENEYE Name: acetic acid; ruthenium monohydride; triphenylphosphane
IUPAC Name: acetic acid; ruthenium monohydride; triphenylphosphane
SYSTEMATIC NAME: ethanoic acid; ruthenium monohydride; triphenylphosphane
MOLECULAR FORMULA: C56H50O2P3Ru
MOLECULAR WEIGHT: 948.986283
SMILES: CC(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[RuH]
Structure:
CAS RN: 15350-13-7
CAS Name: benzoic acid; copper
OPENEYE Name: benzoic acid; copper
IUPAC Name: benzoic acid; copper
SYSTEMATIC NAME: benzoic acid; copper
MOLECULAR FORMULA: C28H24Cu2O8
MOLECULAR WEIGHT: 615.57736
SMILES: C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.[Cu].[Cu]
Structure:
CAS RN: 53770-32-4
CAS Name: 2-hydroxy-3,5-di(propan-2-yl)benzoic acid; manganese
OPENEYE Name: 2-hydroxy-3,5-diisopropyl-benzoic acid; manganese
IUPAC Name: 2-hydroxy-3,5-di(propan-2-yl)benzoic acid; manganese
SYSTEMATIC NAME: manganese; 2-oxidanyl-3,5-di(propan-2-yl)benzoic acid
MOLECULAR FORMULA: C26H36MnO6
MOLECULAR WEIGHT: 499.498489
SMILES: CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C.[Mn]
Structure:
CAS RN: 89797-59-1
CAS Name: sodium; 5H-tetrazolo[1,5-b]pyridazin-6-one
OPENEYE Name: sodium; 5H-tetrazolo[1,5-b]pyridazin-6-one
IUPAC Name: sodium; 5H-tetrazolo[1,5-b]pyridazin-6-one
SYSTEMATIC NAME: sodium; 5H-[1,2,3,4]tetrazolo[1,5-b]pyridazin-6-one
MOLECULAR FORMULA: C4H3N5NaO
MOLECULAR WEIGHT: 160.08929
SMILES: C1=CC2=NN=NN2NC1=O.[Na]
Structure:
CAS RN: 83943-83-3
CAS Name: 7-[(4-amino-5-iodo-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
OPENEYE Name: 7-(4-amino-5-iodo-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
IUPAC Name: 7-(4-amino-5-iodo-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
SYSTEMATIC NAME: 7-(4-azanyl-5-iodanyl-6-methyl-oxan-2-yl)oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
MOLECULAR FORMULA: C27H29ClINO10
MOLECULAR WEIGHT: 689.87733
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)CO)O)N)I.Cl
Structure:
CAS RN: 24678-65-7
CAS Name: 1-azepanecarbodithioic acid; sodium
OPENEYE Name: azepane-1-carbodithioic acid; sodium
IUPAC Name: azepane-1-carbodithioic acid; sodium
SYSTEMATIC NAME: azepane-1-carbodithioic acid; sodium
MOLECULAR FORMULA: C7H13NNaS2
MOLECULAR WEIGHT: 198.30459
SMILES: C1CCCN(CC1)C(=S)S.[Na]
Structure:
CAS RN: 93583-99-4
CAS Name: 2-[1-(3-methyl-4-pyrazolylidene)ethylamino]guanidine hydrochloride
OPENEYE Name: 2-[1-(3-methylpyrazol-4-ylidene)ethylamino]guanidine hydrochloride
IUPAC Name: 2-[1-(3-methylpyrazol-4-ylidene)ethylamino]guanidine hydrochloride
SYSTEMATIC NAME: 2-[1-(3-methylpyrazol-4-ylidene)ethylamino]guanidine hydrochloride
MOLECULAR FORMULA: C7H13ClN6
MOLECULAR WEIGHT: 216.67132
SMILES: CC1=NN=CC1=C(C)NN=C(N)N.Cl
Structure:
CAS RN: 87405-03-6
CAS Name: 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol; platinum; triphenylphosphine
OPENEYE Name: 4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol; platinum; triphenylphosphane
IUPAC Name: 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol; platinum; triphenylphosphane
SYSTEMATIC NAME: 4-[1-oxidanyl-2-(propan-2-ylamino)ethyl]benzene-1,2-diol; platinum; triphenylphosphane
MOLECULAR FORMULA: C47H47NO3P2Pt
MOLECULAR WEIGHT: 930.906502
SMILES: CC(C)NCC(C1=CC(=C(C=C1)O)O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pt]
Structure:
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