CAS RN: 72496-41-4
CAS Name: (7S,9S)-7-[[(2R,4S,5S,6S)-4-amino-6-methyl-5-[[(2S)-2-oxanyl]oxy]-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2S)-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2S)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-[(2S)-oxan-2-yl]oxy-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C32H37NO12
MOLECULAR WEIGHT: 627.63568
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O[C@H]6CCCCO6
Structure:
CAS RN: 138661-02-6
CAS Name: 2-[2-[[2-[[1-[[10-(4-aminobutyl)-4-[(1,3-dihydroxybutan-2-ylamino)-oxomethyl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-16-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloeicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxo
OPENEYE Name: 2-[2-[[2-[[2-[[10-(4-aminobutyl)-16-benzyl-7-(1-hydroxyethyl)-4-[[2-hydroxy-1-(hydroxymethyl)propyl]carbamoyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-benzyl-2-oxo-ethyl]amino]-2-oxo-ethyl]-(c
IUPAC Name: 2-[2-[[2-[[1-[[10-(4-aminobutyl)-16-benzyl-4-(1,3-dihydroxybutan-2-ylcarbamoyl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-(carboxyme
SYSTEMATIC NAME: 2-[2-[[2-[[1-[[10-(4-azanylbutyl)-4-[1,3-bis(oxidanyl)butan-2-ylcarbamoyl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentakis(oxidanylidene)-16-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxidanylidene-3-phenyl-pr
MOLECULAR FORMULA: C63H87N13O19S2
MOLECULAR WEIGHT: 1394.57058
SMILES: CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)NC(CO)C(C)O)O
Structure:
CAS RN: 146510-36-3
CAS Name: 1-[amino-[(3,4-dichlorophenyl)methylimino]methyl]-2-octylguanidine
OPENEYE Name: 1-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-2-octyl-guanidine
IUPAC Name: 1-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-2-octylguanidine
SYSTEMATIC NAME: 1-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-2-octyl-guanidine
MOLECULAR FORMULA: C17H27Cl2N5
MOLECULAR WEIGHT: 372.33578
SMILES: CCCCCCCCN=C(N)NC(=NCC1=CC(=C(C=C1)Cl)Cl)N
Structure:
CAS RN: 218282-71-4
CAS Name: 1-[amino-[(3,4-dichlorophenyl)methylimino]methyl]-2-octylguanidine hydrate dihydrochloride
OPENEYE Name: 1-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-2-octyl-guanidine hydrate dihydrochloride
IUPAC Name: 1-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-2-octylguanidine hydrate dihydrochloride
SYSTEMATIC NAME: 1-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-2-octyl-guanidine hydrate dihydrochloride
MOLECULAR FORMULA: C34H58Cl6N10O
MOLECULAR WEIGHT: 835.60872
SMILES: CCCCCCCCN=C(N)NC(=NCC1=CC(=C(C=C1)Cl)Cl)N.CCCCCCCCN=C(N)NC(=NCC1=CC(=C(C=C1)Cl)Cl)N.O.Cl.Cl
Structure:
CAS RN: 138470-70-9
CAS Name: N-[4-[[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-oxomethyl]phenyl]-2-methylbenzamide hydrochloride
OPENEYE Name: N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methyl-benzamide hydrochloride
IUPAC Name: N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide hydrochloride
SYSTEMATIC NAME: N-[4-[[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]phenyl]-2-methyl-benzamide hydrochloride
MOLECULAR FORMULA: C27H30ClN3O2
MOLECULAR WEIGHT: 463.999
SMILES: CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)N(C)C.Cl
Structure:
CAS RN: 134865-37-5
CAS Name: 4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-3-chlorophenol; (2R,3R)-2,3-dihydroxybutanedioic acid
OPENEYE Name: 4-[(1R)-2-(tert-butylamino)-1-hydroxy-ethyl]-3-chloro-phenol; (2R,3R)-2,3-dihydroxybutanedioic acid
IUPAC Name: 4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-3-chlorophenol; (2R,3R)-2,3-dihydroxybutanedioic acid
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 4-[(1R)-2-(tert-butylamino)-1-oxidanyl-ethyl]-3-chloranyl-phenol
MOLECULAR FORMULA: C16H24ClNO8
MOLECULAR WEIGHT: 393.81666
SMILES: CC(C)(C)NC[C@@H](C1=C(C=C(C=C1)O)Cl)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 114870-03-0
CAS Name: decasodium (2S,3S,4R,5R,6R)-6-[[(2R,3R,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)-3-oxanyl]oxy]-5-sulfonatooxy-3-oxanyl]oxy]-5-(sulfonatoamino)-4-sulfonatooxy-2
OPENEYE Name: decasodium (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfonatooxy-tetrahydropyran-3-yl]oxy-5-(sulfonatoamino
IUPAC Name: decasodium (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sul
SYSTEMATIC NAME: decasodium (2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-oxidanyl-5-(sulfonatoamino)-2-(sulfonatooxymethy
MOLECULAR FORMULA: C31H43N3Na10O49S8
MOLECULAR WEIGHT: 1728.08152
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)[O-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)[O-])O)
Structure:
CAS RN: 364622-82-2
CAS Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S,5S)-5-[(sulfamoylamino)methyl]-3-pyrrolidinyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
OPENEYE Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
IUPAC Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
SYSTEMATIC NAME: (4R,5S,6S)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
MOLECULAR FORMULA: C15H26N4O7S2
MOLECULAR WEIGHT: 438.51954
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O.O
Structure:
CAS RN: 149838-23-3
CAS Name: (2S,3R)-3-[(2-nitro-1-imidazolyl)methoxy]butane-1,2,4-triol
OPENEYE Name: (2S,3R)-3-[(2-nitroimidazol-1-yl)methoxy]butane-1,2,4-triol
IUPAC Name: (2S,3R)-3-[(2-nitroimidazol-1-yl)methoxy]butane-1,2,4-triol
SYSTEMATIC NAME: (2S,3R)-3-[(2-nitroimidazol-1-yl)methoxy]butane-1,2,4-triol
MOLECULAR FORMULA: C8H13N3O6
MOLECULAR WEIGHT: 247.20532
SMILES: C1=CN(C(=N1)[N+](=O)[O-])CO[C@H](CO)[C@H](CO)O
Structure:
CAS RN: 67814-76-0
CAS Name: (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-[[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)-2-oxanyl]oxy]-3-hydroxycyclohexyl]-2-hydroxypropanamide; sulfuric acid
OPENEYE Name: (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-propanamide; sulfuric ac
IUPAC Name: (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide; sulfuric acid
SYSTEMATIC NAME: (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2R,3R,4R,5R)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-3-azanyl-2-oxidanyl-propanamide; sulfuric acid
MOLECULAR FORMULA: C22H45N5O16S
MOLECULAR WEIGHT: 667.6816
SMILES: C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N)NC(=O)[C@H](CN)O)O.OS(=O)(=O)O
Structure:
CAS RN: 66734-13-2
CAS Name: propanoic acid [2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(1-oxopropoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] propanoate
IUPAC Name: [2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
SYSTEMATIC NAME: [2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-17-propanoyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] propanoate
MOLECULAR FORMULA: C28H37ClO7
MOLECULAR WEIGHT: 521.04218
SMILES: CCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2[C@@H](CC4=CC(=O)C=C[C@]34C)Cl)O)C)C)OC(=O)CC
Structure:
CAS RN: 642-83-1
CAS Name: acetic acid [(3R,3aS,6S,6aS)-6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl] ester
OPENEYE Name: [(3R,3aS,6S,6aS)-6-acetoxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl] acetate
IUPAC Name: [(3R,3aS,6S,6aS)-6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl] acetate
SYSTEMATIC NAME: [(3R,3aS,6S,6aS)-6-acetyloxy-2,5-bis(oxidanylidene)-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl] ethanoate
MOLECULAR FORMULA: C10H10O8
MOLECULAR WEIGHT: 258.1816
SMILES: CC(=O)O[C@@H]1[C@@H]2[C@@H]([C@@H](C(=O)O2)OC(=O)C)OC1=O
Structure:
CAS RN: 6381-92-6
CAS Name: disodium 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate dihydrate
OPENEYE Name: disodium 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate dihydrate
IUPAC Name: disodium 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate dihydrate
SYSTEMATIC NAME: disodium 2-[2-hydroxy-2-oxoethyl-[2-[2-hydroxy-2-oxoethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate dihydrate
MOLECULAR FORMULA: C10H18N2Na2O10
MOLECULAR WEIGHT: 372.23686
SMILES: C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.[Na+].[Na+]
Structure:
CAS RN: 69056-38-8
CAS Name: (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one dihydrochloride
OPENEYE Name: (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one dihydrochloride
IUPAC Name: (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one dihydrochloride
SYSTEMATIC NAME: (6R)-2-azanyl-6-[(1R,2S)-1,2-bis(oxidanyl)propyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one dihydrochloride
MOLECULAR FORMULA: C9H17Cl2N5O3
MOLECULAR WEIGHT: 314.16898
SMILES: C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)N=C(N2)N)O)O.Cl.Cl
Structure:
CAS RN: 82857-38-3
CAS Name: benzoic acid [1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] ester; propanedioic acid
OPENEYE Name: [1-[(tert-butylamino)methyl]-2-[(2-methyl-1H-indol-4-yl)oxy]ethyl] benzoate; malonic acid
IUPAC Name: [1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate; propanedioic acid
SYSTEMATIC NAME: [1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate; propanedioic acid
MOLECULAR FORMULA: C26H32N2O7
MOLECULAR WEIGHT: 484.54148
SMILES: CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3.C(C(=O)O)C(=O)O
Structure:
CAS RN: 61914-43-0
CAS Name: (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-oxanecarboxamide
OPENEYE Name: (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxamide
IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxamide
MOLECULAR FORMULA: C6H11NO6
MOLECULAR WEIGHT: 193.15464
SMILES: [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)N)O)O
Structure:
CAS RN: 58580-55-5
CAS Name: (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2R,3R,6S)-3-amino-6-(aminomethyl)-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol; sulfuric acid
OPENEYE Name: (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,5-diol; sulfuric acid
IUPAC Name: (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol; sulfuric acid
SYSTEMATIC NAME: (2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-3-[(2R,3R,6S)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-4-azanyl-6-(hydroxymethyl)oxane-3,5-diol; sulfuric acid
MOLECULAR FORMULA: C18H39N5O12S
MOLECULAR WEIGHT: 549.59356
SMILES: C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N.OS(=O)(=O)O
Structure:
CAS RN: 58069-82-2
CAS Name: diaminomethanone
OPENEYE Name: diaminomethanone
IUPAC Name: diaminomethanone
SYSTEMATIC NAME: bis(azanyl)methanone
MOLECULAR FORMULA: CH4N2O
MOLECULAR WEIGHT: 61.047915
SMILES: [13C](=O)(N)N
Structure:
CAS RN: 57852-57-0
CAS Name: (7S,9S)-9-acetyl-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
OPENEYE Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
SYSTEMATIC NAME: (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethanoyl-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
MOLECULAR FORMULA: C26H28ClNO9
MOLECULAR WEIGHT: 533.95482
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O.Cl
Structure:
CAS RN: 57101-59-4
CAS Name: 2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine
OPENEYE Name: 2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine
IUPAC Name: 2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine
SYSTEMATIC NAME: 2,4,6-tris[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecakis(fluoranyl)nonyl]-1,3,5-triazine
MOLECULAR FORMULA: C30F57N3
MOLECULAR WEIGHT: 1485.250082
SMILES: C1(=NC(=NC(=N1)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 7235-32-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H40N4O6
MOLECULAR WEIGHT: 624.726
SMILES: CCC1C(C2=NC1=CC3=C(C4=C(N3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)N6)C(=O)C)C)C)CCC(=O)OC)C(C4=O)C(=O)OC)C)C
Structure:
CAS RN: 161265-03-8
CAS Name: (5-diphenylphosphino-9,9-dimethyl-4-xanthenyl)-diphenylphosphine
OPENEYE Name: (5-diphenylphosphanyl-9,9-dimethyl-xanthen-4-yl)-diphenyl-phosphane
IUPAC Name: (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane
SYSTEMATIC NAME: (5-diphenylphosphanyl-9,9-dimethyl-xanthen-4-yl)-diphenyl-phosphane
MOLECULAR FORMULA: C39H32OP2
MOLECULAR WEIGHT: 578.618302
SMILES: CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C
Structure:
CAS RN: 69937-10-6
CAS Name: 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
OPENEYE Name: 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
IUPAC Name: 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
SYSTEMATIC NAME: 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
MOLECULAR FORMULA: C44H50N8
MOLECULAR WEIGHT: 690.9214
SMILES: CN1CCC2(C1NC3=CC=CC=C32)C4=C5C(=CC=C4)C6(CCN(C6N5)C)C7=C8C(=CC=C7)C9(CCN(C9N8)C)C12CCN(C1NC1=CC=CC=C21)C
Structure:
CAS RN: 16400-50-3
CAS Name: 1,3-dibromo-5-(3,5-dibromophenyl)benzene
OPENEYE Name: 1,3-dibromo-5-(3,5-dibromophenyl)benzene
IUPAC Name: 1,3-dibromo-5-(3,5-dibromophenyl)benzene
SYSTEMATIC NAME: 1-[3,5-bis(bromanyl)phenyl]-3,5-bis(bromanyl)benzene
MOLECULAR FORMULA: C12H6Br4
MOLECULAR WEIGHT: 469.79204
SMILES: C1=C(C=C(C=C1Br)Br)C2=CC(=CC(=C2)Br)Br
Structure:
CAS RN: 52498-93-8
CAS Name: 2',6',7-tribromo-5-(hydroxymethyl)-1'-spiro[3H-benzofuran-2,4'-cyclohexa-2,5-diene]one
OPENEYE Name: 2',6',7-tribromo-5-(hydroxymethyl)spiro[3H-benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one
IUPAC Name: 2',6',7-tribromo-5-(hydroxymethyl)spiro[3H-1-benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one
SYSTEMATIC NAME: 2',6',7-tris(bromanyl)-5-(hydroxymethyl)spiro[3H-1-benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one
MOLECULAR FORMULA: C14H9Br3O3
MOLECULAR WEIGHT: 464.93146
SMILES: C1C2=CC(=CC(=C2OC13C=C(C(=O)C(=C3)Br)Br)Br)CO
Structure:
CAS RN: 98327-87-8
CAS Name: [1-(2-diphenylphosphino-1-naphthalenyl)-2-naphthalenyl]-diphenylphosphine
OPENEYE Name: [1-(2-diphenylphosphanyl-1-naphthyl)-2-naphthyl]-diphenyl-phosphane
IUPAC Name: [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
SYSTEMATIC NAME: [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane
MOLECULAR FORMULA: C44H32P2
MOLECULAR WEIGHT: 622.672402
SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8
Structure:
CAS RN: 30748-85-7
CAS Name: 2,4,6-tris(2-phenylpropan-2-yl)phenol
OPENEYE Name: 2,4,6-tris(1-methyl-1-phenyl-ethyl)phenol
IUPAC Name: 2,4,6-tris(2-phenylpropan-2-yl)phenol
SYSTEMATIC NAME: 2,4,6-tris(2-phenylpropan-2-yl)phenol
MOLECULAR FORMULA: C33H36O
MOLECULAR WEIGHT: 448.63834
SMILES: CC(C)(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(C)(C)C3=CC=CC=C3)O)C(C)(C)C4=CC=CC=C4
Structure:
CAS RN: 80955-71-1
CAS Name: 1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
OPENEYE Name: 1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
IUPAC Name: 1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
SYSTEMATIC NAME: 1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
MOLECULAR FORMULA: C32H46
MOLECULAR WEIGHT: 430.70764
SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCC
Structure:
CAS RN: 110904-87-5
CAS Name: 2-chloro-9,10-bis(4-methoxyphenyl)anthracene
OPENEYE Name: 2-chloro-9,10-bis(4-methoxyphenyl)anthracene
IUPAC Name: 2-chloro-9,10-bis(4-methoxyphenyl)anthracene
SYSTEMATIC NAME: 2-chloranyl-9,10-bis(4-methoxyphenyl)anthracene
MOLECULAR FORMULA: C28H21ClO2
MOLECULAR WEIGHT: 424.91814
SMILES: COC1=CC=C(C=C1)C2=C3C=CC(=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)OC)Cl
Structure:
CAS RN: 110726-28-8
CAS Name: 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
OPENEYE Name: 4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-methyl-ethyl]phenol
IUPAC Name: 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
SYSTEMATIC NAME: 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
MOLECULAR FORMULA: C29H28O3
MOLECULAR WEIGHT: 424.53082
SMILES: CC(C)(C1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
Structure:
CAS RN: 134925-36-3
CAS Name: 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
OPENEYE Name: 4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-methyl-ethyl]phenol
IUPAC Name: 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
SYSTEMATIC NAME: 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
MOLECULAR FORMULA: C29H28O3
MOLECULAR WEIGHT: 424.53082
SMILES: CC(C)(C1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
Structure:
CAS RN: 151688-33-4
CAS Name: 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
OPENEYE Name: 4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-methyl-ethyl]phenol
IUPAC Name: 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
SYSTEMATIC NAME: 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
MOLECULAR FORMULA: C29H28O3
MOLECULAR WEIGHT: 424.53082
SMILES: CC(C)(C1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
Structure:
CAS RN: 503835-78-7
CAS Name: 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
OPENEYE Name: 4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-methyl-ethyl]phenol
IUPAC Name: 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
SYSTEMATIC NAME: 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
MOLECULAR FORMULA: C29H28O3
MOLECULAR WEIGHT: 424.53082
SMILES: CC(C)(C1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
Structure:
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