CAS RN: 143259-56-7
CAS Name: 3-bromo-1-indolecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-bromoindole-1-carboxylate
IUPAC Name: tert-butyl 3-bromoindole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-bromanylindole-1-carboxylate
MOLECULAR FORMULA: C13H14BrNO2
MOLECULAR WEIGHT: 296.15976
SMILES: CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)Br
Structure:
CAS RN: 150812-21-8
CAS Name: N4-[(4-fluorophenyl)methyl]-2-nitrobenzene-1,4-diamine
OPENEYE Name: N4-[(4-fluorophenyl)methyl]-2-nitro-benzene-1,4-diamine
IUPAC Name: 4-N-[(4-fluorophenyl)methyl]-2-nitrobenzene-1,4-diamine
SYSTEMATIC NAME: N4-[(4-fluorophenyl)methyl]-2-nitro-benzene-1,4-diamine
MOLECULAR FORMULA: C13H12FN3O2
MOLECULAR WEIGHT: 261.251683
SMILES: C1=CC(=CC=C1CNC2=CC(=C(C=C2)N)[N+](=O)[O-])F
Structure:
CAS RN: 802034-95-3
CAS Name: 9-ethyl-3-carbazolesulfonic acid
OPENEYE Name: 9-ethylcarbazole-3-sulfonic acid
IUPAC Name: 9-ethylcarbazole-3-sulfonic acid
SYSTEMATIC NAME: 9-ethylcarbazole-3-sulfonic acid
MOLECULAR FORMULA: C14H13NO3S
MOLECULAR WEIGHT: 275.32292
SMILES: CCN1C2=C(C=C(C=C2)S(=O)(=O)O)C3=CC=CC=C31
Structure:
CAS RN: 93859-04-2
CAS Name: 1-dodecyl-2,4-diisocyanatobenzene
OPENEYE Name: 1-dodecyl-2,4-diisocyanato-benzene
IUPAC Name: 1-dodecyl-2,4-diisocyanatobenzene
SYSTEMATIC NAME: 1-dodecyl-2,4-diisocyanato-benzene
MOLECULAR FORMULA: C20H28N2O2
MOLECULAR WEIGHT: 328.44852
SMILES: CCCCCCCCCCCCC1=C(C=C(C=C1)N=C=O)N=C=O
Structure:
CAS RN: 36847-10-6
CAS Name: 4,6-dibromopyrimidine
OPENEYE Name: 4,6-dibromopyrimidine
IUPAC Name: 4,6-dibromopyrimidine
SYSTEMATIC NAME: 4,6-bis(bromanyl)pyrimidine
MOLECULAR FORMULA: C4H2Br2N2
MOLECULAR WEIGHT: 237.88008
SMILES: C1=C(N=CN=C1Br)Br
Structure:
CAS RN: 56204-45-6
CAS Name: 1,3-diamino-2-methylguanidine hydroiodide
OPENEYE Name: 1,3-diamino-2-methyl-guanidine hydroiodide
IUPAC Name: 1,3-diamino-2-methylguanidine hydroiodide
SYSTEMATIC NAME: 1,3-bis(azanyl)-2-methyl-guanidine hydroiodide
MOLECULAR FORMULA: C2H10IN5
MOLECULAR WEIGHT: 231.03877
SMILES: CN=C(NN)NN.I
Structure:
CAS RN: 54449-30-8
CAS Name: 1H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione
OPENEYE Name: 1H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione
IUPAC Name: 1H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione
SYSTEMATIC NAME: 1H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione
MOLECULAR FORMULA: C6H5N3O2
MOLECULAR WEIGHT: 151.1228
SMILES: C1=CN2C(=C1)NC(=O)NC2=O
Structure:
CAS RN: 885957-21-1
CAS Name: 2,4-difluorobenzenecarboximidamide hydrochloride
OPENEYE Name: 2,4-difluorobenzamidine hydrochloride
IUPAC Name: 2,4-difluorobenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 2,4-bis(fluoranyl)benzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C7H7ClF2N2
MOLECULAR WEIGHT: 192.593686
SMILES: C1=CC(=C(C=C1F)F)C(=N)N.Cl
Structure:
CAS RN: 73246-85-2
CAS Name: 2-[[[(2-dodecoxy-2-oxoethyl)thio]-dioctylstannyl]thio]acetic acid dodecyl ester
OPENEYE Name: dodecyl 2-[(2-dodecoxy-2-oxo-ethyl)sulfanyl-dioctyl-stannyl]sulfanylacetate
IUPAC Name: dodecyl 2-[(2-dodecoxy-2-oxoethyl)sulfanyl-dioctylstannyl]sulfanylacetate
SYSTEMATIC NAME: dodecyl 2-[(2-dodecoxy-2-oxidanylidene-ethyl)sulfanyl-dioctyl-stannyl]sulfanylethanoate
MOLECULAR FORMULA: C44H88O4S2Sn
MOLECULAR WEIGHT: 864.00712
SMILES: CCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCC)(CCCCCCCC)SCC(=O)OCCCCCCCCCCCC
Structure:
CAS RN: 60427-77-2
CAS Name: 4-[(4-methoxyphenyl)methoxy]-2-methylene-4-oxobutanoate
OPENEYE Name: 4-[(4-methoxyphenyl)methoxy]-2-methylene-4-oxo-butanoate
IUPAC Name: 4-[(4-methoxyphenyl)methoxy]-2-methylidene-4-oxobutanoate
SYSTEMATIC NAME: 4-[(4-methoxyphenyl)methoxy]-2-methylidene-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C13H13O5-
MOLECULAR WEIGHT: 249.23932
SMILES: COC1=CC=C(C=C1)COC(=O)CC(=C)C(=O)[O-]
Structure:
CAS RN: 114041-16-6
CAS Name: 5,6-dimethoxy-2,3-dihydro-1H-isoindole
OPENEYE Name: 5,6-dimethoxyisoindoline
IUPAC Name: 5,6-dimethoxy-2,3-dihydro-1H-isoindole
SYSTEMATIC NAME: 5,6-dimethoxy-2,3-dihydro-1H-isoindole
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: COC1=C(C=C2CNCC2=C1)OC
Structure:
CAS RN: 37199-66-9
CAS Name: potassium sulfide
OPENEYE Name: potassium sulfide
IUPAC Name: potassium sulfide
SYSTEMATIC NAME: potassium sulfide
MOLECULAR FORMULA: KS-
MOLECULAR WEIGHT: 71.1633
SMILES: [S-2].[K+]
Structure:
CAS RN: 50864-80-7
CAS Name: potassium sulfide
OPENEYE Name: potassium sulfide
IUPAC Name: potassium sulfide
SYSTEMATIC NAME: potassium sulfide
MOLECULAR FORMULA: KS-
MOLECULAR WEIGHT: 71.1633
SMILES: [S-2].[K+]
Structure:
CAS RN: 886363-17-3
CAS Name: 2-(1-indolyl)benzoic acid
OPENEYE Name: 2-indol-1-ylbenzoic acid
IUPAC Name: 2-indol-1-ylbenzoic acid
SYSTEMATIC NAME: 2-indol-1-ylbenzoic acid
MOLECULAR FORMULA: C15H11NO2
MOLECULAR WEIGHT: 237.25334
SMILES: C1=CC=C2C(=C1)C=CN2C3=CC=CC=C3C(=O)O
Structure:
CAS RN: 35806-22-5
CAS Name: 3-(4-morpholinyl)-1-butanol
OPENEYE Name: 3-morpholinobutan-1-ol
IUPAC Name: 3-morpholin-4-ylbutan-1-ol
SYSTEMATIC NAME: 3-morpholin-4-ylbutan-1-ol
MOLECULAR FORMULA: C8H17NO2
MOLECULAR WEIGHT: 159.22608
SMILES: CC(CCO)N1CCOCC1
Structure:
CAS RN: 776329-10-3
CAS Name: 3-(4-morpholinyl)-1-butanamine
OPENEYE Name: 3-morpholinobutan-1-amine
IUPAC Name: 3-morpholin-4-ylbutan-1-amine
SYSTEMATIC NAME: 3-morpholin-4-ylbutan-1-amine
MOLECULAR FORMULA: C8H18N2O
MOLECULAR WEIGHT: 158.24132
SMILES: CC(CCN)N1CCOCC1
Structure:
CAS RN: 54518-92-2
CAS Name: 3-amino-1-chloro-5-methyl-2-hexanone hydrochloride
OPENEYE Name: 3-amino-1-chloro-5-methyl-hexan-2-one hydrochloride
IUPAC Name: 3-amino-1-chloro-5-methylhexan-2-one hydrochloride
SYSTEMATIC NAME: 3-azanyl-1-chloranyl-5-methyl-hexan-2-one hydrochloride
MOLECULAR FORMULA: C7H15Cl2NO
MOLECULAR WEIGHT: 200.1061
SMILES: CC(C)CC(C(=O)CCl)N.Cl
Structure:
CAS RN: 14312-00-6
CAS Name: cadmium(2+); dioxido(dioxo)chromium
OPENEYE Name: cadmium(2+); dioxido(dioxo)chromium
IUPAC Name: cadmium(2+); dioxido(dioxo)chromium
SYSTEMATIC NAME: bis(oxidanidyl)-bis(oxidanylidene)chromium; cadmium(2+)
MOLECULAR FORMULA: CdCrO4
MOLECULAR WEIGHT: 228.4047
SMILES: [O-][Cr](=O)(=O)[O-].[Cd+2]
Structure:
CAS RN: 90622-58-5
CAS Name: 3,5,7-trimethyldecane
OPENEYE Name: 3,5,7-trimethyldecane
IUPAC Name: 3,5,7-trimethyldecane
SYSTEMATIC NAME: 3,5,7-trimethyldecane
MOLECULAR FORMULA: C13H28
MOLECULAR WEIGHT: 184.36142
SMILES: CCCC(C)CC(C)CC(C)CC
Structure:
CAS RN: 373-43-3
CAS Name: trimethyl(octadecyl)ammonium fluoride
OPENEYE Name: trimethyl(octadecyl)ammonium fluoride
IUPAC Name: trimethyl(octadecyl)azanium fluoride
SYSTEMATIC NAME: trimethyl(octadecyl)azanium fluoride
MOLECULAR FORMULA: C21H46FN
MOLECULAR WEIGHT: 331.595043
SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[F-]
Structure:
CAS RN: 39174-47-5
CAS Name: tetrasodium 4-[10,15,20-tris(4-sulfonatophenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonate dodecahydrate
OPENEYE Name: tetrasodium 4-[10,15,20-tris(4-sulfonatophenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonate dodecahydrate
IUPAC Name: tetrasodium 4-[10,15,20-tris(4-sulfonatophenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonate dodecahydrate
SYSTEMATIC NAME: tetrasodium 4-[10,15,20-tris(4-sulfonatophenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonate dodecahydrate
MOLECULAR FORMULA: C44H50N4Na4O24S4
MOLECULAR WEIGHT: 1239.09928
SMILES: C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)[O-])C8=CC=C(C=C8)S(=O)(=O)[O-])C9=CC=C(C=C9)S(=O)(=O)[O-])N3)S(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 1252-69-3
CAS Name: (Z)-2-butenedioic acid; N-[4-[4-[3-(dimethylamino)propyl]-1-piperazinyl]phenyl]acetamide
OPENEYE Name: N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]ethanamide
MOLECULAR FORMULA: C25H36N4O9
MOLECULAR WEIGHT: 536.57474
SMILES: CC(=O)NC1=CC=C(C=C1)N2CCN(CC2)CCCN(C)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 17243-32-2
CAS Name: (E)-2-butenedioic acid; 11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one
OPENEYE Name: 11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one
MOLECULAR FORMULA: C23H26N2O5
MOLECULAR WEIGHT: 410.46294
SMILES: CN(C)CCCN1C2=CC=CC=C2CC(=O)C3=CC=CC=C31.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 138614-30-9
CAS Name: (2S)-2-[[[(3aS,7aS)-1-[[(3R)-2-[(2S)-2-[[(2S)-2-[[2-[[[(2S,4R)-1-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-4-hydroxy-2-pyrrolidinyl]-oxomethyl]amino]-
OPENEYE Name: (2S)-2-[[(3aS,7aS)-1-[(3R)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxy-pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-(2-thienyl)propanoyl]amino]-3-hy
IUPAC Name: (2S)-2-[[(3aS,7aS)-1-[(3R)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thi
SYSTEMATIC NAME: (2S)-2-[[(3aS,7aS)-1-[[(3R)-2-[(2S)-2-[[(2S)-2-[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonyl-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]ethano
MOLECULAR FORMULA: C61H93N19O15S
MOLECULAR WEIGHT: 1364.57442
SMILES: CC(=O)O.C1CC[C@H]2[C@@H](C1)CC(N2C(=O)[C@H]3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)NC(=O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H]7CCCN7C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
Structure:
CAS RN: 67699-41-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H60ClN5O13S
MOLECULAR WEIGHT: 982.5337
SMILES: CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]1([C@@H]8N6C)C(=O)N(C(=O)O1)CCCl)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O
Structure:
CAS RN: 77287-90-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H35NO4S
MOLECULAR WEIGHT: 433.604
SMILES: C[C@H]1CC(=C)C[C@@]23[C@@H]1[C@@H](CC4=C2C=C(C=C4)O)N(CC3)CC5CCC5.CS(=O)(=O)O
Structure:
CAS RN: 69632-93-5
CAS Name: phosphoric acid [(E)-4-(methoxymethylamino)-4-oxobut-2-en-2-yl] dimethyl ester
OPENEYE Name: [(E)-3-(methoxymethylamino)-1-methyl-3-oxo-prop-1-enyl] dimethyl phosphate
IUPAC Name: [(E)-4-(methoxymethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
SYSTEMATIC NAME: [(E)-4-(methoxymethylamino)-4-oxidanylidene-but-2-en-2-yl] dimethyl phosphate
MOLECULAR FORMULA: C8H16NO6P
MOLECULAR WEIGHT: 253.189501
SMILES: C/C(=C\C(=O)NCOC)/OP(=O)(OC)OC
Structure:
CAS RN: 19360-02-2
CAS Name: (Z)-2,3,5,5,5-pentachloro-4-oxo-2-pentenoic acid
OPENEYE Name: (Z)-2,3,5,5,5-pentachloro-4-oxo-pent-2-enoic acid
IUPAC Name: (Z)-2,3,5,5,5-pentachloro-4-oxopent-2-enoic acid
SYSTEMATIC NAME: (Z)-2,3,5,5,5-pentakis(chloranyl)-4-oxidanylidene-pent-2-enoic acid
MOLECULAR FORMULA: C5HCl5O3
MOLECULAR WEIGHT: 286.32464
SMILES: C(=C(\C(=O)O)/Cl)(\C(=O)C(Cl)(Cl)Cl)/Cl
Structure:
CAS RN: 60343-50-2
CAS Name: (2S)-2-amino-3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(5-oxidanyl-4-oxidanylidene-1H-pyridin-2-yl)propanoic acid
MOLECULAR FORMULA: C8H10N2O4
MOLECULAR WEIGHT: 198.176
SMILES: C1=C(NC=C(C1=O)O)C[C@@H](C(=O)O)N
Structure:
CAS RN: 58-98-0
CAS Name: [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate
MOLECULAR FORMULA: C9H11N2O12P2-3
MOLECULAR WEIGHT: 401.137362
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O)O
Structure:
CAS RN: 3538-57-6
CAS Name: (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-bromo-6-fluoro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-bromo-6-fluoro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-bromo-6-fluoro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,8R,9S,10R,13S,14S,17R)-17-bromanyl-17-ethanoyl-6-fluoranyl-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H28BrFO2
MOLECULAR WEIGHT: 411.348223
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)F)C)Br
Structure:
CAS RN: 158474-72-7
CAS Name: 2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetic acid propyl ester
OPENEYE Name: propyl 2-[(1R,2R)-3-oxo-2-pentyl-cyclopentyl]acetate
IUPAC Name: propyl 2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetate
SYSTEMATIC NAME: propyl 2-[(1R,2R)-3-oxidanylidene-2-pentyl-cyclopentyl]ethanoate
MOLECULAR FORMULA: C15H26O3
MOLECULAR WEIGHT: 254.36514
SMILES: CCCCC[C@@H]1[C@H](CCC1=O)CC(=O)OCCC
Structure:
CAS RN: 155836-48-9
CAS Name: N-[(2R)-3-hydroxy-1,1-diphenylpropan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1R)-1-(hydroxymethyl)-2,2-diphenyl-ethyl]carbamate
IUPAC Name: tert-butyl N-[(2R)-3-hydroxy-1,1-diphenylpropan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2R)-3-oxidanyl-1,1-diphenyl-propan-2-yl]carbamate
MOLECULAR FORMULA: C20H25NO3
MOLECULAR WEIGHT: 327.4174
SMILES: CC(C)(C)OC(=O)N[C@@H](CO)C(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 31884-76-1
CAS Name: zinc 4-aminobenzenesulfonate tetrahydrate
OPENEYE Name: zinc 4-aminobenzenesulfonate tetrahydrate
IUPAC Name: zinc 4-aminobenzenesulfonate tetrahydrate
SYSTEMATIC NAME: zinc 4-azanylbenzenesulfonate tetrahydrate
MOLECULAR FORMULA: C12H20N2O10S2Zn
MOLECULAR WEIGHT: 481.8336
SMILES: C1=CC(=CC=C1N)S(=O)(=O)[O-].C1=CC(=CC=C1N)S(=O)(=O)[O-].O.O.O.O.[Zn+2]
Structure:
CAS RN: 34144-82-6
CAS Name: butanedioic acid bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester; sulfuric acid
OPENEYE Name: bis(1,2,2,6,6-pentamethyl-4-piperidyl) butanedioate; sulfuric acid
IUPAC Name: bis(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate; sulfuric acid
SYSTEMATIC NAME: bis(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate; sulfuric acid
MOLECULAR FORMULA: C24H48N2O12S2
MOLECULAR WEIGHT: 620.77412
SMILES: CC1(CC(CC(N1C)(C)C)OC(=O)CCC(=O)OC2CC(N(C(C2)(C)C)C)(C)C)C.OS(=O)(=O)O.OS(=O)(=O)O
Structure:
CAS RN: 5585-62-6
CAS Name: N-[[4-[2-[4-[[hexyl(methyl)amino]methyl]phenoxy]ethoxy]phenyl]methyl]-N-methyl-1-hexanamine dihydrochloride
OPENEYE Name: N-[[4-[2-[4-[[hexyl(methyl)amino]methyl]phenoxy]ethoxy]phenyl]methyl]-N-methyl-hexan-1-amine dihydrochloride
IUPAC Name: N-[[4-[2-[4-[[hexyl(methyl)amino]methyl]phenoxy]ethoxy]phenyl]methyl]-N-methylhexan-1-amine dihydrochloride
SYSTEMATIC NAME: N-[[4-[2-[4-[[hexyl(methyl)amino]methyl]phenoxy]ethoxy]phenyl]methyl]-N-methyl-hexan-1-amine dihydrochloride
MOLECULAR FORMULA: C30H50Cl2N2O2
MOLECULAR WEIGHT: 541.6362
SMILES: CCCCCCN(C)CC1=CC=C(C=C1)OCCOC2=CC=C(C=C2)CN(C)CCCCCC.Cl.Cl
Structure:
CAS RN: 24539-66-0
CAS Name: 2-chloro-9H-fluorene-9-carboxylic acid
OPENEYE Name: 2-chloro-9H-fluorene-9-carboxylic acid
IUPAC Name: 2-chloro-9H-fluorene-9-carboxylic acid
SYSTEMATIC NAME: 2-chloranyl-9H-fluorene-9-carboxylic acid
MOLECULAR FORMULA: C14H9ClO2
MOLECULAR WEIGHT: 244.67306
SMILES: C1=CC=C2C3=C(C=C(C=C3)Cl)C(C2=C1)C(=O)O
Structure:
CAS RN: 25671-46-9
CAS Name: carbonic acid (2,6-dibromo-4-cyanophenyl) 2-oxolanylmethyl ester
OPENEYE Name: (2,6-dibromo-4-cyano-phenyl) tetrahydrofuran-2-ylmethyl carbonate
IUPAC Name: (2,6-dibromo-4-cyanophenyl) oxolan-2-ylmethyl carbonate
SYSTEMATIC NAME: [2,6-bis(bromanyl)-4-cyano-phenyl] oxolan-2-ylmethyl carbonate
MOLECULAR FORMULA: C13H11Br2NO4
MOLECULAR WEIGHT: 405.03874
SMILES: C1CC(OC1)COC(=O)OC2=C(C=C(C=C2Br)C#N)Br
Structure:
CAS RN: 2589-47-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H38N2O8
MOLECULAR WEIGHT: 518.59922
SMILES: CCC[N+]12[C@H]3C[C@@H]([C@@H]([C@H]1O)CC)C4[C@@H]2C[C@@]5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O
Structure:
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