CAS RN: 67483-13-0
CAS Name: disodium 5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfonato-phenyl)vinyl]benzenesulfonate
IUPAC Name: disodium 5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfonato-phenyl)ethenyl]benzenesulfonate
MOLECULAR FORMULA: C16H8N2Na2O6S4
MOLECULAR WEIGHT: 498.48406
SMILES: C1=CC(=C(C=C1N=C=S)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N=C=S)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 66842-43-1
CAS Name: 2-[10-(2-oxiranyl)-9-anthracenyl]oxirane
OPENEYE Name: 2-[10-(oxiran-2-yl)-9-anthryl]oxirane
IUPAC Name: 2-[10-(oxiran-2-yl)anthracen-9-yl]oxirane
SYSTEMATIC NAME: 2-[10-(oxiran-2-yl)anthracen-9-yl]oxirane
MOLECULAR FORMULA: C18H14O2
MOLECULAR WEIGHT: 262.30256
SMILES: C1C(O1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5CO5
Structure:
CAS RN: 73306-73-7
CAS Name: 1-(bromomethyl)-3-methylnaphthalene
OPENEYE Name: 1-(bromomethyl)-3-methyl-naphthalene
IUPAC Name: 1-(bromomethyl)-3-methylnaphthalene
SYSTEMATIC NAME: 1-(bromomethyl)-3-methyl-naphthalene
MOLECULAR FORMULA: C12H11Br
MOLECULAR WEIGHT: 235.11974
SMILES: CC1=CC2=CC=CC=C2C(=C1)CBr
Structure:
CAS RN: 73299-41-9
CAS Name: (2R,3R,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
OPENEYE Name: (2R,3R,10S,13R,14R,17R)-17-[(1R,4R)-4,5-dihydroxy-1,5-dimethyl-hexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
IUPAC Name: (2R,3R,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
SYSTEMATIC NAME: (2R,3R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5R)-6-methyl-5,6-bis(oxidanyl)heptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
MOLECULAR FORMULA: C30H52O4
MOLECULAR WEIGHT: 476.73148
SMILES: C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(C[C@H]([C@@H](C4(C)C)O)O)C)C)C
Structure:
CAS RN: 64838-04-6
CAS Name: 6,7-dimethoxy-4-(5-phenylpentyl)-1H-indole-2,3-dione
OPENEYE Name: 6,7-dimethoxy-4-(5-phenylpentyl)indoline-2,3-dione
IUPAC Name: 6,7-dimethoxy-4-(5-phenylpentyl)-1H-indole-2,3-dione
SYSTEMATIC NAME: 6,7-dimethoxy-4-(5-phenylpentyl)-1H-indole-2,3-dione
MOLECULAR FORMULA: C21H23NO4
MOLECULAR WEIGHT: 353.41162
SMILES: COC1=C(C2=C(C(=C1)CCCCCC3=CC=CC=C3)C(=O)C(=O)N2)OC
Structure:
CAS RN: 64709-55-3
CAS Name: 2-(1-pyrenyl)acetic acid
OPENEYE Name: 2-pyren-1-ylacetic acid
IUPAC Name: 2-pyren-1-ylacetic acid
SYSTEMATIC NAME: 2-pyren-1-ylethanoic acid
MOLECULAR FORMULA: C18H12O2
MOLECULAR WEIGHT: 260.28668
SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CC(=O)O
Structure:
CAS RN: 7322-88-5
CAS Name: 2-(1-pyrenyl)acetic acid
OPENEYE Name: 2-pyren-1-ylacetic acid
IUPAC Name: 2-pyren-1-ylacetic acid
SYSTEMATIC NAME: 2-pyren-1-ylethanoic acid
MOLECULAR FORMULA: C18H12O2
MOLECULAR WEIGHT: 260.28668
SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CC(=O)O
Structure:
CAS RN: 6966-36-5
CAS Name: 1,6-dimethoxybenzo[a]pyrene
OPENEYE Name: 1,6-dimethoxybenzo[a]pyrene
IUPAC Name: 1,6-dimethoxybenzo[a]pyrene
SYSTEMATIC NAME: 1,6-dimethoxybenzo[a]pyrene
MOLECULAR FORMULA: C22H16O2
MOLECULAR WEIGHT: 312.36124
SMILES: COC1=C2C=CC3=C4C2=C(C=CC4=C(C5=CC=CC=C35)OC)C=C1
Structure:
CAS RN: 67121-39-5
CAS Name: acetic acid [(4R,5S,11R,12S)-5,11,12-triacetyloxy-4,5,11,12-tetrahydrobenzo[a]pyren-4-yl] ester
OPENEYE Name: [(4R,5S,11R,12S)-5,11,12-triacetoxy-4,5,11,12-tetrahydrobenzo[a]pyren-4-yl] acetate
IUPAC Name: [(4R,5S,11R,12S)-5,11,12-triacetyloxy-4,5,11,12-tetrahydrobenzo[a]pyren-4-yl] acetate
SYSTEMATIC NAME: [(4R,5S,11R,12S)-5,11,12-triacetyloxy-4,5,11,12-tetrahydrobenzo[a]pyren-4-yl] ethanoate
MOLECULAR FORMULA: C28H24O8
MOLECULAR WEIGHT: 488.48536
SMILES: CC(=O)O[C@H]1[C@H](C2=CC3=CC=CC=C3C4=C2C5=C1C=CC=C5[C@@H]([C@@H]4OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 67112-56-5
CAS Name: (4R,5S,11S,12R)-4,5,11,12-tetrahydrobenzo[a]pyrene-4,5,11,12-tetrol
OPENEYE Name: (4R,5S,11S,12R)-4,5,11,12-tetrahydrobenzo[a]pyrene-4,5,11,12-tetrol
IUPAC Name: (4R,5S,11S,12R)-4,5,11,12-tetrahydrobenzo[a]pyrene-4,5,11,12-tetrol
SYSTEMATIC NAME: (4R,5S,11S,12R)-4,5,11,12-tetrahydrobenzo[a]pyrene-4,5,11,12-tetrol
MOLECULAR FORMULA: C20H16O4
MOLECULAR WEIGHT: 320.33864
SMILES: C1=CC=C2C(=C1)C=C3[C@@H]([C@@H](C4=C5C3=C2[C@@H]([C@@H](C5=CC=C4)O)O)O)O
Structure:
CAS RN: 6710-62-9
CAS Name: acetic acid [(4R,5S,11S,12R)-5,11,12-triacetyloxy-4,5,11,12-tetrahydrobenzo[a]pyren-4-yl] ester
OPENEYE Name: [(4R,5S,11S,12R)-5,11,12-triacetoxy-4,5,11,12-tetrahydrobenzo[a]pyren-4-yl] acetate
IUPAC Name: [(4R,5S,11S,12R)-5,11,12-triacetyloxy-4,5,11,12-tetrahydrobenzo[a]pyren-4-yl] acetate
SYSTEMATIC NAME: [(4R,5S,11S,12R)-5,11,12-triacetyloxy-4,5,11,12-tetrahydrobenzo[a]pyren-4-yl] ethanoate
MOLECULAR FORMULA: C28H24O8
MOLECULAR WEIGHT: 488.48536
SMILES: CC(=O)O[C@H]1[C@H](C2=CC3=CC=CC=C3C4=C2C5=C1C=CC=C5[C@H]([C@H]4OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 67006-46-6
CAS Name: (7R,8R)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol
OPENEYE Name: (7R,8R)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol
IUPAC Name: (7R,8R)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol
SYSTEMATIC NAME: (7R,8R)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol
MOLECULAR FORMULA: C20H16O2
MOLECULAR WEIGHT: 288.33984
SMILES: C1CC2=C(C=C3C=CC4=C5C3=C2C=CC5=CC=C4)[C@H]([C@@H]1O)O
Structure:
CAS RN: 66997-69-1
CAS Name: (2,6-dimethylphenyl)methanol
OPENEYE Name: (2,6-dimethylphenyl)methanol
IUPAC Name: (2,6-dimethylphenyl)methanol
SYSTEMATIC NAME: (2,6-dimethylphenyl)methanol
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CC1=C(C(=CC=C1)C)CO
Structure:
CAS RN: 105734-63-2
CAS Name: (4-hydroxyphenyl)-(4-methoxyphenyl)methanone
OPENEYE Name: (4-hydroxyphenyl)-(4-methoxyphenyl)methanone
IUPAC Name: (4-hydroxyphenyl)-(4-methoxyphenyl)methanone
SYSTEMATIC NAME: (4-hydroxyphenyl)-(4-methoxyphenyl)methanone
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)O
Structure:
CAS RN: 61002-54-8
CAS Name: (4-hydroxyphenyl)-(4-methoxyphenyl)methanone
OPENEYE Name: (4-hydroxyphenyl)-(4-methoxyphenyl)methanone
IUPAC Name: (4-hydroxyphenyl)-(4-methoxyphenyl)methanone
SYSTEMATIC NAME: (4-hydroxyphenyl)-(4-methoxyphenyl)methanone
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)O
Structure:
CAS RN: 60135-23-1
CAS Name: 1-hydroxy-7-methoxy-1,5-dimethyl-3-propan-2-yl-2-naphthalenone
OPENEYE Name: 1-hydroxy-3-isopropyl-7-methoxy-1,5-dimethyl-naphthalen-2-one
IUPAC Name: 1-hydroxy-7-methoxy-1,5-dimethyl-3-propan-2-ylnaphthalen-2-one
SYSTEMATIC NAME: 7-methoxy-1,5-dimethyl-1-oxidanyl-3-propan-2-yl-naphthalen-2-one
MOLECULAR FORMULA: C16H20O3
MOLECULAR WEIGHT: 260.3282
SMILES: CC1=C2C=C(C(=O)C(C2=CC(=C1)OC)(C)O)C(C)C
Structure:
CAS RN: 655-48-1
CAS Name: 5,6-dimethyl-1,2,3-benzothiadiazole
OPENEYE Name: 5,6-dimethyl-1,2,3-benzothiadiazole
IUPAC Name: 5,6-dimethyl-1,2,3-benzothiadiazole
SYSTEMATIC NAME: 5,6-dimethyl-1,2,3-benzothiadiazole
MOLECULAR FORMULA: C8H8N2S
MOLECULAR WEIGHT: 164.22752
SMILES: CC1=CC2=C(C=C1C)SN=N2
Structure:
CAS RN: 65270-05-5
CAS Name: 2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dithione
OPENEYE Name: 2-(m-tolyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dithione
IUPAC Name: 2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dithione
SYSTEMATIC NAME: 2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dithione
MOLECULAR FORMULA: C13H15N3S2
MOLECULAR WEIGHT: 277.4083
SMILES: CC1=CC(=CC=C1)N2C(=S)N3CCCCN3C2=S
Structure:
CAS RN: 65199-05-5
CAS Name: 2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
OPENEYE Name: 2-(m-tolyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
IUPAC Name: 2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
SYSTEMATIC NAME: 2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
MOLECULAR FORMULA: C13H15N3O2
MOLECULAR WEIGHT: 245.2771
SMILES: CC1=CC(=CC=C1)N2C(=O)N3CCCCN3C2=O
Structure:
CAS RN: 58717-74-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H8O2
MOLECULAR WEIGHT: 160.16932
SMILES: C1=CC=C2[C@H]3[C@H](O3)[C@@H]4[C@H](C2=C1)O4
Structure:
CAS RN: 58692-14-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H8O2
MOLECULAR WEIGHT: 160.16932
SMILES: C1=CC=C2[C@@H]3[C@@H](O3)[C@@H]4[C@H](C2=C1)O4
Structure:
CAS RN: 64972-19-6
CAS Name: bis(1-pyrenyl)diazene
OPENEYE Name: di(pyren-1-yl)diazene
IUPAC Name: di(pyren-1-yl)diazene
SYSTEMATIC NAME: di(pyren-1-yl)diazene
MOLECULAR FORMULA: C32H18N2
MOLECULAR WEIGHT: 430.49872
SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)N=NC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5
Structure:
CAS RN: 6368-62-3
CAS Name: 2-phenylacetic acid [(3aR,6aS,7R,8R,10R,10aR,10bS)-3a,8,10a-trihydroxy-5-[[2-(3-hydroxy-5-methoxyphenyl)-1-oxoethoxy]methyl]-2,10-dimethyl-8-(1-methylethenyl)-3-oxo-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] ester
OPENEYE Name: [(3aR,6aS,7R,8R,10R,10aR,10bS)-3a,8,10a-trihydroxy-5-[[2-(3-hydroxy-5-methoxy-phenyl)acetyl]oxymethyl]-8-isopropenyl-2,10-dimethyl-3-oxo-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylacetate
IUPAC Name: [(3aR,6aS,7R,8R,10R,10aR,10bS)-3a,8,10a-trihydroxy-5-[[2-(3-hydroxy-5-methoxyphenyl)acetyl]oxymethyl]-2,10-dimethyl-3-oxo-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylacetate
SYSTEMATIC NAME: [(3aR,6aS,7R,8R,10R,10aR,10bS)-5-[2-(3-methoxy-5-oxidanyl-phenyl)ethanoyloxymethyl]-2,10-dimethyl-3a,8,10a-tris(oxidanyl)-3-oxidanylidene-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylethanoate
MOLECULAR FORMULA: C37H42O10
MOLECULAR WEIGHT: 646.72338
SMILES: C[C@@H]1C[C@]([C@@H]([C@H]2[C@]1([C@@H]3C=C(C(=O)[C@]3(CC(=C2)COC(=O)CC4=CC(=CC(=C4)OC)O)O)C)O)OC(=O)CC5=CC=CC=C5)(C(=C)C)O
Structure:
CAS RN: 6340-60-9
CAS Name: 1,1,1,2,2-pentachloropropane
OPENEYE Name: 1,1,1,2,2-pentachloropropane
IUPAC Name: 1,1,1,2,2-pentachloropropane
SYSTEMATIC NAME: 1,1,1,2,2-pentakis(chloranyl)propane
MOLECULAR FORMULA: C3H3Cl5
MOLECULAR WEIGHT: 216.32092
SMILES: CC(C(Cl)(Cl)Cl)(Cl)Cl
Structure:
CAS RN: 5458-42-4
CAS Name: (1R,2S,3R)-1-[2-(2-fluorophenyl)-4-triazolyl]butane-1,2,3,4-tetrol
OPENEYE Name: (1R,2S,3R)-1-[2-(2-fluorophenyl)triazol-4-yl]butane-1,2,3,4-tetrol
IUPAC Name: (1R,2S,3R)-1-[2-(2-fluorophenyl)triazol-4-yl]butane-1,2,3,4-tetrol
SYSTEMATIC NAME: (1R,2S,3R)-1-[2-(2-fluorophenyl)-1,2,3-triazol-4-yl]butane-1,2,3,4-tetrol
MOLECULAR FORMULA: C12H14FN3O4
MOLECULAR WEIGHT: 283.255663
SMILES: C1=CC=C(C(=C1)N2N=CC(=N2)[C@H]([C@@H]([C@@H](CO)O)O)O)F
Structure:
CAS RN: 5455-43-6
CAS Name: (2S,5S,6S)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-1,5-diol
OPENEYE Name: (2S,5S,6S)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptane-1,5-diol
IUPAC Name: (2S,5S,6S)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-1,5-diol
SYSTEMATIC NAME: (2S,5S,6S)-6-[(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptane-1,5-diol
MOLECULAR FORMULA: C27H46O3
MOLECULAR WEIGHT: 418.65234
SMILES: C[C@@H](CC[C@@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)CO
Structure:
CAS RN: 44969-80-4
CAS Name: 2,2,3,4,4-pentafluoro-3-butenoic acid
OPENEYE Name: 2,2,3,4,4-pentafluorobut-3-enoic acid
IUPAC Name: 2,2,3,4,4-pentafluorobut-3-enoic acid
SYSTEMATIC NAME: 2,2,3,4,4-pentakis(fluoranyl)but-3-enoic acid
MOLECULAR FORMULA: C4HF5O2
MOLECULAR WEIGHT: 176.041556
SMILES: C(=C(F)F)(C(C(=O)O)(F)F)F
Structure:
CAS RN: 55150-57-7
CAS Name: (2S)-2-methylaziridine
OPENEYE Name: (2S)-2-methylaziridine
IUPAC Name: (2S)-2-methylaziridine
SYSTEMATIC NAME: (2S)-2-methylaziridine
MOLECULAR FORMULA: C3H7N
MOLECULAR WEIGHT: 57.09438
SMILES: C[C@H]1CN1
Structure:
CAS RN: 41927-28-0
CAS Name: (2S)-2-methylaziridine
OPENEYE Name: (2S)-2-methylaziridine
IUPAC Name: (2S)-2-methylaziridine
SYSTEMATIC NAME: (2S)-2-methylaziridine
MOLECULAR FORMULA: C3H7N
MOLECULAR WEIGHT: 57.09438
SMILES: C[C@H]1CN1
Structure:
CAS RN: 5397-00-2
CAS Name: (7-methyl-5-benzo[a]anthracenyl)methanol
OPENEYE Name: (7-methylbenzo[a]anthracen-5-yl)methanol
IUPAC Name: (7-methylbenzo[a]anthracen-5-yl)methanol
SYSTEMATIC NAME: (7-methylbenzo[a]anthracen-5-yl)methanol
MOLECULAR FORMULA: C20H16O
MOLECULAR WEIGHT: 272.34044
SMILES: CC1=C2C=C(C3=CC=CC=C3C2=CC4=CC=CC=C14)CO
Structure:
CAS RN: 51887-89-9
CAS Name: (1R)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
OPENEYE Name: (1R)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
IUPAC Name: (1R)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
SYSTEMATIC NAME: (1R)-1-[(3aR,5R,6S,6aR)-6-oxidanyl-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
MOLECULAR FORMULA: C8H11Cl3O6
MOLECULAR WEIGHT: 309.52834
SMILES: C([C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)C(Cl)(Cl)Cl)O)O)O
Structure:
CAS RN: 14798-36-8
CAS Name: (1R)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
OPENEYE Name: (1R)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
IUPAC Name: (1R)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
SYSTEMATIC NAME: (1R)-1-[(3aR,5R,6S,6aR)-6-oxidanyl-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
MOLECULAR FORMULA: C8H11Cl3O6
MOLECULAR WEIGHT: 309.52834
SMILES: C([C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)C(Cl)(Cl)Cl)O)O)O
Structure:
CAS RN: 1806-61-7
CAS Name: 6-amino-1-hydroxy-2-pyrimidinone
OPENEYE Name: 6-amino-1-hydroxy-pyrimidin-2-one
IUPAC Name: 6-amino-1-hydroxypyrimidin-2-one
SYSTEMATIC NAME: 6-azanyl-1-oxidanyl-pyrimidin-2-one
MOLECULAR FORMULA: C4H5N3O2
MOLECULAR WEIGHT: 127.1014
SMILES: C1=C(N(C(=O)N=C1)O)N
Structure:
CAS RN: 42920-40-1
CAS Name: 4-methylbenzenesulfonic acid (2,4-dioxo-1-pteridinyl) ester
OPENEYE Name: (2,4-dioxopteridin-1-yl) 4-methylbenzenesulfonate
IUPAC Name: (2,4-dioxopteridin-1-yl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: [2,4-bis(oxidanylidene)pteridin-1-yl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C13H10N4O5S
MOLECULAR WEIGHT: 334.3073
SMILES: CC1=CC=C(C=C1)S(=O)(=O)ON2C3=NC=CN=C3C(=O)NC2=O
Structure:
CAS RN: 4291-30-9
CAS Name: methanesulfonic acid (2,4-dioxo-1-pteridinyl) ester
OPENEYE Name: (2,4-dioxopteridin-1-yl) methanesulfonate
IUPAC Name: (2,4-dioxopteridin-1-yl) methanesulfonate
SYSTEMATIC NAME: [2,4-bis(oxidanylidene)pteridin-1-yl] methanesulfonate
MOLECULAR FORMULA: C7H6N4O5S
MOLECULAR WEIGHT: 258.21134
SMILES: CS(=O)(=O)ON1C2=NC=CN=C2C(=O)NC1=O
Structure:
CAS RN: 4289-95-6
CAS Name: 1-hydroxypteridine-2,4-dione
OPENEYE Name: 1-hydroxypteridine-2,4-dione
IUPAC Name: 1-hydroxypteridine-2,4-dione
SYSTEMATIC NAME: 1-oxidanylpteridine-2,4-dione
MOLECULAR FORMULA: C6H4N4O3
MOLECULAR WEIGHT: 180.12096
SMILES: C1=CN=C2C(=N1)C(=O)NC(=O)N2O
Structure:
No comments:
Post a Comment