CAS RN: 13292-50-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H50N4O13
MOLECULAR WEIGHT: 782.8333
SMILES: CC1/C=C\C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NNC(=O)N)C(=O)C(O4)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 4075-49-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H56N2O13
MOLECULAR WEIGHT: 784.88894
SMILES: CC1/C=C\C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2CN(C)CCO)O)O)\C
Structure:
CAS RN: 4135-85-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H54N2O12
MOLECULAR WEIGHT: 754.86296
SMILES: CC1/C=C\C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2CN(C)C)O)O)\C
Structure:
CAS RN: 4267-47-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H58N2O12
MOLECULAR WEIGHT: 794.92682
SMILES: CC1/C=C\C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2CN5CCCCC5)O)O)\C
Structure:
CAS RN: 55788-44-8
CAS Name: 3-bromo-1-propanesulfonic acid; sodium
OPENEYE Name: 3-bromopropane-1-sulfonic acid; sodium
IUPAC Name: 3-bromopropane-1-sulfonic acid; sodium
SYSTEMATIC NAME: 3-bromanylpropane-1-sulfonic acid; sodium
MOLECULAR FORMULA: C3H7BrNaO3S
MOLECULAR WEIGHT: 226.04465
SMILES: C(CS(=O)(=O)O)CBr.[Na]
Structure:
CAS RN: 30698-17-0
CAS Name: 3-acetyloxypropyl(triphenyl)phosphonium bromide
OPENEYE Name: 3-acetoxypropyl(triphenyl)phosphonium bromide
IUPAC Name: 3-acetyloxypropyl(triphenyl)phosphanium bromide
SYSTEMATIC NAME: 3-acetyloxypropyl(triphenyl)phosphanium bromide
MOLECULAR FORMULA: C23H24BrO2P
MOLECULAR WEIGHT: 443.313221
SMILES: CC(=O)OCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Structure:
CAS RN: 22966-76-3
CAS Name: [3-(2-ethoxy-2-oxoethoxy)-4-oxo-3,4-diphenylbutyl]-triphenylphosphonium bromide
OPENEYE Name: [3-(2-ethoxy-2-oxo-ethoxy)-4-oxo-3,4-diphenyl-butyl]-triphenyl-phosphonium bromide
IUPAC Name: [3-(2-ethoxy-2-oxoethoxy)-4-oxo-3,4-diphenylbutyl]-triphenylphosphanium bromide
SYSTEMATIC NAME: [3-(2-ethoxy-2-oxidanylidene-ethoxy)-4-oxidanylidene-3,4-diphenyl-butyl]-triphenyl-phosphanium bromide
MOLECULAR FORMULA: C38H36BrO4P
MOLECULAR WEIGHT: 667.567801
SMILES: CCOC(=O)COC(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)C5=CC=CC=C5.[Br-]
Structure:
CAS RN: 21310-02-1
CAS Name: triphenyl(2-phenylethenyl)phosphonium bromide
OPENEYE Name: triphenyl(styryl)phosphonium bromide
IUPAC Name: triphenyl(2-phenylethenyl)phosphanium bromide
SYSTEMATIC NAME: triphenyl(2-phenylethenyl)phosphanium bromide
MOLECULAR FORMULA: C26H22BrP
MOLECULAR WEIGHT: 445.330641
SMILES: C1=CC=C(C=C1)C=C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
Structure:
CAS RN: 14123-53-6
CAS Name: 1-ethyl-6,6,7-trimethyl-1-(phenylmethyl)spiro[2,7,8,8a-tetrahydropyrrolo[1,2-b][1,2,4]oxadiazin-1-ium-3,1'-cyclohexane] perchlorate
OPENEYE Name: 1-benzyl-1-ethyl-6,6,7-trimethyl-spiro[2,7,8,8a-tetrahydropyrrolo[1,2-b][1,2,4]oxadiazin-1-ium-3,1'-cyclohexane] perchlorate
IUPAC Name: 1-benzyl-1-ethyl-6,6,7-trimethylspiro[2,7,8,8a-tetrahydropyrrolo[1,2-b][1,2,4]oxadiazin-1-ium-3,1'-cyclohexane] perchlorate
SYSTEMATIC NAME: 1-ethyl-6,6,7-trimethyl-1-(phenylmethyl)spiro[2,7,8,8a-tetrahydropyrrolo[1,2-b][1,2,4]oxadiazin-1-ium-3,1'-cyclohexane] perchlorate
MOLECULAR FORMULA: C23H37ClN2O5
MOLECULAR WEIGHT: 457.00328
SMILES: CC[N+]1(CC2(CCCCC2)ON3C1CC(C3(C)C)C)CC4=CC=CC=C4.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 61210-82-0
CAS Name: 3,7-dimethyl-1-octa-2,6-dienamine hydrochloride
OPENEYE Name: 3,7-dimethylocta-2,6-dien-1-amine hydrochloride
IUPAC Name: 3,7-dimethylocta-2,6-dien-1-amine hydrochloride
SYSTEMATIC NAME: 3,7-dimethylocta-2,6-dien-1-amine hydrochloride
MOLECULAR FORMULA: C10H20ClN
MOLECULAR WEIGHT: 189.7255
SMILES: CC(=CCCC(=CCN)C)C.Cl
Structure:
CAS RN: 32772-43-3
CAS Name: benzoic acid 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl ester hydrochloride
OPENEYE Name: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl benzoate hydrochloride
IUPAC Name: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl benzoate hydrochloride
SYSTEMATIC NAME: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl benzoate hydrochloride
MOLECULAR FORMULA: C17H24ClNO2
MOLECULAR WEIGHT: 309.83096
SMILES: C1CCN2CCCC(C2C1)COC(=O)C3=CC=CC=C3.Cl
Structure:
CAS RN: 17945-53-8
CAS Name: 1,1,2,2-tetramethylazetidin-1-ium iodide
OPENEYE Name: 1,1,2,2-tetramethylazetidin-1-ium iodide
IUPAC Name: 1,1,2,2-tetramethylazetidin-1-ium iodide
SYSTEMATIC NAME: 1,1,2,2-tetramethylazetidin-1-ium iodide
MOLECULAR FORMULA: C7H16IN
MOLECULAR WEIGHT: 241.11311
SMILES: CC1(CC[N+]1(C)C)C.[I-]
Structure:
CAS RN: 35550-03-9
CAS Name: [[(hydroxyamino)-oxomethyl]amino]carbamic acid; sodium
OPENEYE Name: (hydroxycarbamoylamino)carbamic acid; sodium
IUPAC Name: (hydroxycarbamoylamino)carbamic acid; sodium
SYSTEMATIC NAME: (oxidanylcarbamoylamino)carbamic acid; sodium
MOLECULAR FORMULA: C2H5N3NaO4
MOLECULAR WEIGHT: 158.06857
SMILES: C(=O)(NNC(=O)O)NO.[Na]
Structure:
CAS RN: 36519-15-0
CAS Name: (7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-4-methoxy-9-[1-(1-piperidinylimino)ethyl]-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-[C-methyl-N-(1-piperidyl)carbonimidoyl]-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-(C-methyl-N-piperidin-1-ylcarbonimidoyl)-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-9-(C-methyl-N-piperidin-1-yl-carbonimidoyl)-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
MOLECULAR FORMULA: C32H40ClN3O9
MOLECULAR WEIGHT: 646.1277
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(=NN6CCCCC6)C)O)N)O.Cl
Structure:
CAS RN: 72022-70-9
CAS Name: 5-amino-5-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol hydrochloride
OPENEYE Name: 5-amino-5-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol hydrochloride
IUPAC Name: 5-amino-5-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol hydrochloride
SYSTEMATIC NAME: 5-azanyl-5-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol hydrochloride
MOLECULAR FORMULA: C8H18ClNO4S2
MOLECULAR WEIGHT: 291.81582
SMILES: C1CSC(S1)C(C(C(C(CO)O)O)O)N.Cl
Structure:
CAS RN: 17065-92-8
CAS Name: 4-[4-(2,4-dichlorophenyl)butyl]aniline hydrochloride
OPENEYE Name: 4-[4-(2,4-dichlorophenyl)butyl]aniline hydrochloride
IUPAC Name: 4-[4-(2,4-dichlorophenyl)butyl]aniline hydrochloride
SYSTEMATIC NAME: 4-[4-(2,4-dichlorophenyl)butyl]aniline hydrochloride
MOLECULAR FORMULA: C16H18Cl3N
MOLECULAR WEIGHT: 330.67982
SMILES: C1=CC(=CC=C1CCCCC2=C(C=C(C=C2)Cl)Cl)N.Cl
Structure:
CAS RN: 15866-72-5
CAS Name: 4-(4-phenylbutyl)aniline hydrochloride
OPENEYE Name: 4-(4-phenylbutyl)aniline hydrochloride
IUPAC Name: 4-(4-phenylbutyl)aniline hydrochloride
SYSTEMATIC NAME: 4-(4-phenylbutyl)aniline hydrochloride
MOLECULAR FORMULA: C16H20ClN
MOLECULAR WEIGHT: 261.7897
SMILES: C1=CC=C(C=C1)CCCCC2=CC=C(C=C2)N.Cl
Structure:
CAS RN: 15245-93-9
CAS Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ide; diiodoiron; 1H-isoquinolin-2-ide
OPENEYE Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ide; diiodoiron; 1H-isoquinolin-2-ide
IUPAC Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ide; diiodoiron; 1H-isoquinolin-2-ide
SYSTEMATIC NAME: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ide; bis(iodanyl)iron; 1H-isoquinolin-2-ide
MOLECULAR FORMULA: C36H56FeI2N4-4
MOLECULAR WEIGHT: 854.51058
SMILES: C1CCC2C[N-]CCC2C1.C1CCC2C[N-]CCC2C1.C1CCC2C[N-]CCC2C1.C1C2=CC=CC=C2C=C[N-]1.[Fe](I)I
Structure:
CAS RN: 72930-28-0
CAS Name: dichloromercury; thiocane
OPENEYE Name: dichloromercury; thiocane
IUPAC Name: dichloromercury; thiocane
SYSTEMATIC NAME: bis(chloranyl)mercury; thiocane
MOLECULAR FORMULA: C7H14Cl2HgS
MOLECULAR WEIGHT: 401.74706
SMILES: C1CCCSCCC1.Cl[Hg]Cl
Structure:
CAS RN: 14427-91-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H27ClN2O4
MOLECULAR WEIGHT: 334.83888
SMILES: C1CCN2CC3CC(C2C1)CN4C3CCCC4.OCl(=O)(=O)=O
Structure:
CAS RN: 17945-58-3
CAS Name: 1,2,2-trimethyl-1-(phenylmethyl)azetidin-1-ium perchlorate
OPENEYE Name: 1-benzyl-1,2,2-trimethyl-azetidin-1-ium perchlorate
IUPAC Name: 1-benzyl-1,2,2-trimethylazetidin-1-ium perchlorate
SYSTEMATIC NAME: 1,2,2-trimethyl-1-(phenylmethyl)azetidin-1-ium perchlorate
MOLECULAR FORMULA: C13H20ClNO4
MOLECULAR WEIGHT: 289.7552
SMILES: CC1(CC[N+]1(C)CC2=CC=CC=C2)C.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 17945-57-2
CAS Name: 2,2-dimethyl-1-(phenylmethyl)azetidine; perchloric acid
OPENEYE Name: 1-benzyl-2,2-dimethyl-azetidine; perchloric acid
IUPAC Name: 1-benzyl-2,2-dimethylazetidine; perchloric acid
SYSTEMATIC NAME: 2,2-dimethyl-1-(phenylmethyl)azetidine; perchloric acid
MOLECULAR FORMULA: C12H18ClNO4
MOLECULAR WEIGHT: 275.72862
SMILES: CC1(CCN1CC2=CC=CC=C2)C.OCl(=O)(=O)=O
Structure:
CAS RN: 17945-52-7
CAS Name: 1,1,2,2-tetramethylazetidin-1-ium perchlorate
OPENEYE Name: 1,1,2,2-tetramethylazetidin-1-ium perchlorate
IUPAC Name: 1,1,2,2-tetramethylazetidin-1-ium perchlorate
SYSTEMATIC NAME: 1,1,2,2-tetramethylazetidin-1-ium perchlorate
MOLECULAR FORMULA: C7H16ClNO4
MOLECULAR WEIGHT: 213.65924
SMILES: CC1(CC[N+]1(C)C)C.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 17945-66-3
CAS Name: 4-chloro-2-methyl-N,N-bis(phenylmethyl)-2-butanamine hydrochloride
OPENEYE Name: N,N-dibenzyl-4-chloro-2-methyl-butan-2-amine hydrochloride
IUPAC Name: N,N-dibenzyl-4-chloro-2-methylbutan-2-amine hydrochloride
SYSTEMATIC NAME: 4-chloranyl-2-methyl-N,N-bis(phenylmethyl)butan-2-amine hydrochloride
MOLECULAR FORMULA: C19H25Cl2N
MOLECULAR WEIGHT: 338.3145
SMILES: CC(C)(CCCl)N(CC1=CC=CC=C1)CC2=CC=CC=C2.Cl
Structure:
CAS RN: 17945-56-1
CAS Name: 4-chloro-2-methyl-N-(phenylmethyl)-2-butanamine hydrochloride
OPENEYE Name: N-benzyl-4-chloro-2-methyl-butan-2-amine hydrochloride
IUPAC Name: N-benzyl-4-chloro-2-methylbutan-2-amine hydrochloride
SYSTEMATIC NAME: 4-chloranyl-2-methyl-N-(phenylmethyl)butan-2-amine hydrochloride
MOLECULAR FORMULA: C12H19Cl2N
MOLECULAR WEIGHT: 248.19196
SMILES: CC(C)(CCCl)NCC1=CC=CC=C1.Cl
Structure:
CAS RN: 17945-61-8
CAS Name: trimethyl-(phenylmethyl)ammonium perchlorate
OPENEYE Name: benzyl(trimethyl)ammonium perchlorate
IUPAC Name: benzyl(trimethyl)azanium perchlorate
SYSTEMATIC NAME: trimethyl-(phenylmethyl)azanium perchlorate
MOLECULAR FORMULA: C10H16ClNO4
MOLECULAR WEIGHT: 249.69134
SMILES: C[N+](C)(C)CC1=CC=CC=C1.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 13489-81-1
CAS Name: 1-hydroxy-1-cyclohexanesulfonic acid; sodium
OPENEYE Name: 1-hydroxycyclohexanesulfonic acid; sodium
IUPAC Name: 1-hydroxycyclohexane-1-sulfonic acid; sodium
SYSTEMATIC NAME: 1-oxidanylcyclohexane-1-sulfonic acid; sodium
MOLECULAR FORMULA: C6H12NaO4S
MOLECULAR WEIGHT: 203.21185
SMILES: C1CCC(CC1)(O)S(=O)(=O)O.[Na]
Structure:
CAS RN: 38136-04-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H63N3O12
MOLECULAR WEIGHT: 850.00532
SMILES: CC1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C\NNC5CCCCCCC5)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C
Structure:
CAS RN: 38330-13-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H51N3O13
MOLECULAR WEIGHT: 781.84524
SMILES: CC1/C=C\C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NNC(=O)C)C(=O)C(O4)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 38129-02-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H51NO13
MOLECULAR WEIGHT: 765.84254
SMILES: CC1/C=C\C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2/C=C/C(=O)C)O)O)\C
Structure:
CAS RN: 37107-26-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H57N5O12
MOLECULAR WEIGHT: 823.92828
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C\NN5CCN(CC5)N)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 34219-37-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H58N6O11
MOLECULAR WEIGHT: 822.94352
SMILES: CC1/C=C\C=C(/C(=O)N=C2C=C(C3=C4C(=C(C(=C3C2=O)O)C)OC(C4=O)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)NNC(=NCCCNC)N)\C
Structure:
CAS RN: 38128-55-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H62N6O11
MOLECULAR WEIGHT: 850.99668
SMILES: CCN(CC)CCN=C(N)NNC1=CC2=NC(=O)/C(=C\C=C/C(C(C(C(C(C(C(C(/C=C\OC3(C(=O)C4=C1C(=C(C(=C4O3)C)O)C2=O)C)OC)C)OC(=O)C)C)O)C)O)C)/C
Structure:
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