CAS RN: 6628-20-2
CAS Name: 5-methyl-1H-tetrazolo[1,5-a]pyrimidin-7-one
OPENEYE Name: 5-methyl-1H-tetrazolo[1,5-a]pyrimidin-7-one
IUPAC Name: 5-methyl-1H-tetrazolo[1,5-a]pyrimidin-7-one
SYSTEMATIC NAME: 5-methyl-1H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-7-one
MOLECULAR FORMULA: C5H5N5O
MOLECULAR WEIGHT: 151.1261
SMILES: CC1=CC(=O)N2C(=N1)N=NN2
Structure:
CAS RN: 6628-19-9
CAS Name: 2-(4-hydroxy-2-oxo-3H-thiazol-5-yl)acetic acid
OPENEYE Name: 2-(4-hydroxy-2-oxo-3H-thiazol-5-yl)acetic acid
IUPAC Name: 2-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)acetic acid
SYSTEMATIC NAME: 2-(4-oxidanyl-2-oxidanylidene-3H-1,3-thiazol-5-yl)ethanoic acid
MOLECULAR FORMULA: C5H5NO4S
MOLECULAR WEIGHT: 175.1625
SMILES: C(C1=C(NC(=O)S1)O)C(=O)O
Structure:
CAS RN: 7463-81-2
CAS Name: 2-(4-hydroxy-2-oxo-3H-thiazol-5-yl)acetic acid
OPENEYE Name: 2-(4-hydroxy-2-oxo-3H-thiazol-5-yl)acetic acid
IUPAC Name: 2-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)acetic acid
SYSTEMATIC NAME: 2-(4-oxidanyl-2-oxidanylidene-3H-1,3-thiazol-5-yl)ethanoic acid
MOLECULAR FORMULA: C5H5NO4S
MOLECULAR WEIGHT: 175.1625
SMILES: C(C1=C(NC(=O)S1)O)C(=O)O
Structure:
CAS RN: 625-59-2
CAS Name: thiocyanic acid propan-2-yl ester
OPENEYE Name: isopropyl thiocyanate
IUPAC Name: propan-2-yl thiocyanate
SYSTEMATIC NAME: propan-2-yl thiocyanate
MOLECULAR FORMULA: C4H7NS
MOLECULAR WEIGHT: 101.17008
SMILES: CC(C)SC#N
Structure:
CAS RN: 3856-37-9
CAS Name: (2S,3R)-2,3-dichlorobutanedioic acid
OPENEYE Name: (2S,3R)-2,3-dichlorobutanedioic acid
IUPAC Name: (2S,3R)-2,3-dichlorobutanedioic acid
SYSTEMATIC NAME: (2S,3R)-2,3-bis(chloranyl)butanedioic acid
MOLECULAR FORMULA: C4H4Cl2O4
MOLECULAR WEIGHT: 186.97816
SMILES: [C@@H]([C@@H](C(=O)O)Cl)(C(=O)O)Cl
Structure:
CAS RN: 6629-96-5
CAS Name: 2,2,3,3,5,5,6-heptachloro-1,4-dioxane
OPENEYE Name: 2,2,3,3,5,5,6-heptachloro-1,4-dioxane
IUPAC Name: 2,2,3,3,5,5,6-heptachloro-1,4-dioxane
SYSTEMATIC NAME: 2,2,3,3,5,5,6-heptakis(chloranyl)-1,4-dioxane
MOLECULAR FORMULA: C4HCl7O2
MOLECULAR WEIGHT: 329.22054
SMILES: C1(C(OC(C(O1)(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl
Structure:
CAS RN: 74981-23-0
CAS Name: 2-amino-1-spiro[cyclohexene-5,9'-fluorene]carbonitrile
OPENEYE Name: 2-aminospiro[cyclohexene-5,9'-fluorene]-1-carbonitrile
IUPAC Name: 2-aminospiro[cyclohexene-5,9'-fluorene]-1-carbonitrile
SYSTEMATIC NAME: 2-azanylspiro[cyclohexene-5,9'-fluorene]-1-carbonitrile
MOLECULAR FORMULA: C19H16N2
MOLECULAR WEIGHT: 272.34374
SMILES: C1CC2(CC(=C1N)C#N)C3=CC=CC=C3C4=CC=CC=C24
Structure:
CAS RN: 5420-45-1
CAS Name: methanesulfonic acid [(4S,5S)-2,2-dimethyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl ester
OPENEYE Name: [(4S,5S)-2,2-dimethyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
IUPAC Name: [(4S,5S)-2,2-dimethyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
SYSTEMATIC NAME: [(4S,5S)-2,2-dimethyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
MOLECULAR FORMULA: C9H18O8S2
MOLECULAR WEIGHT: 318.36442
SMILES: CC1(O[C@H]([C@@H](O1)COS(=O)(=O)C)COS(=O)(=O)C)C
Structure:
CAS RN: 4399-47-7
CAS Name: (6S,8R,9S,10R,13S,14R,16R,17R)-6-fluoro-14,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (6S,8R,9S,10R,13S,14R,16R,17R)-6-fluoro-14,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (6S,8R,9S,10R,13S,14R,16R,17R)-6-fluoro-14,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,8R,9S,10R,13S,14R,16R,17R)-6-fluoranyl-10,13,16-trimethyl-14,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H31FO5
MOLECULAR WEIGHT: 394.476943
SMILES: C[C@@H]1C[C@]2([C@@H]3C[C@@H](C4=CC(=O)CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)CO)O)C)C)F)O
Structure:
CAS RN: 6974-04-5
CAS Name: (5S,8R,9S,10S,13S,14S,17R)-17-ethenyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
OPENEYE Name: (5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-vinyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
IUPAC Name: (5S,8R,9S,10S,13S,14S,17R)-17-ethenyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (5S,8R,9S,10S,13S,14S,17R)-17-ethenyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C21H32O
MOLECULAR WEIGHT: 300.47818
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C=C)O)CC[C@@H]4[C@@]3(CC=CC4)C
Structure:
CAS RN: 41172-52-5
CAS Name: (5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
OPENEYE Name: (5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
IUPAC Name: (5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C21H30O
MOLECULAR WEIGHT: 298.4623
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@H]4[C@@]3(CC=CC4)C
Structure:
CAS RN: 1228-73-5
CAS Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-16,17-dione
OPENEYE Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-16,17-dione
IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-16,17-dione
SYSTEMATIC NAME: (8R,9S,13S,14S)-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-16,17-dione
MOLECULAR FORMULA: C18H20O3
MOLECULAR WEIGHT: 284.3496
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=O)C2=O)CCC4=C3C=CC(=C4)O
Structure:
CAS RN: 516-38-1
CAS Name: (3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
OPENEYE Name: (3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
IUPAC Name: (3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
SYSTEMATIC NAME: (3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-[(1S)-1,2-bis(oxidanyl)ethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
MOLECULAR FORMULA: C21H36O5
MOLECULAR WEIGHT: 368.50754
SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4([C@H](CO)O)O)C)O)O
Structure:
CAS RN: 92021-46-0
CAS Name: 4-(benzenesulfonylmethoxymethyl)-1,2-dichlorobenzene
OPENEYE Name: 4-(benzenesulfonylmethoxymethyl)-1,2-dichloro-benzene
IUPAC Name: 4-(benzenesulfonylmethoxymethyl)-1,2-dichlorobenzene
SYSTEMATIC NAME: 1,2-bis(chloranyl)-4-(phenylsulfonylmethoxymethyl)benzene
MOLECULAR FORMULA: C14H12Cl2O3S
MOLECULAR WEIGHT: 331.21428
SMILES: C1=CC=C(C=C1)S(=O)(=O)COCC2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 6941-12-4
CAS Name: 2-(4-tert-butylphenoxy)propanoic acid
OPENEYE Name: 2-(4-tert-butylphenoxy)propanoic acid
IUPAC Name: 2-(4-tert-butylphenoxy)propanoic acid
SYSTEMATIC NAME: 2-(4-tert-butylphenoxy)propanoic acid
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CC(C(=O)O)OC1=CC=C(C=C1)C(C)(C)C
Structure:
CAS RN: 5035-27-8
CAS Name: 1-cyclohexyl-2-methyl-3-butyn-2-ol
OPENEYE Name: 1-cyclohexyl-2-methyl-but-3-yn-2-ol
IUPAC Name: 1-cyclohexyl-2-methylbut-3-yn-2-ol
SYSTEMATIC NAME: 1-cyclohexyl-2-methyl-but-3-yn-2-ol
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CC(CC1CCCCC1)(C#C)O
Structure:
CAS RN: 939760-38-0
CAS Name: 2-acetyloxy-4-[(3-bromo-1-oxopropyl)amino]benzoic acid
OPENEYE Name: 2-acetoxy-4-(3-bromopropanoylamino)benzoic acid
IUPAC Name: 2-acetyloxy-4-(3-bromopropanoylamino)benzoic acid
SYSTEMATIC NAME: 2-acetyloxy-4-(3-bromanylpropanoylamino)benzoic acid
MOLECULAR FORMULA: C12H12BrNO5
MOLECULAR WEIGHT: 330.13138
SMILES: CC(=O)OC1=C(C=CC(=C1)NC(=O)CCBr)C(=O)O
Structure:
CAS RN: 82227-39-2
CAS Name: 2-(1,3-dioxo-2-indenyl)indene-1,3-dione
OPENEYE Name: 2-(1,3-dioxoindan-2-yl)indane-1,3-dione
IUPAC Name: 2-(1,3-dioxoinden-2-yl)indene-1,3-dione
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)inden-2-yl]indene-1,3-dione
MOLECULAR FORMULA: C18H10O4
MOLECULAR WEIGHT: 290.2696
SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)C3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 6940-85-8
CAS Name: 2-cyano-3-(1H-indol-3-yl)-2-propenamide
OPENEYE Name: 2-cyano-3-(1H-indol-3-yl)prop-2-enamide
IUPAC Name: 2-cyano-3-(1H-indol-3-yl)prop-2-enamide
SYSTEMATIC NAME: 2-cyano-3-(1H-indol-3-yl)prop-2-enamide
MOLECULAR FORMULA: C12H9N3O
MOLECULAR WEIGHT: 211.21936
SMILES: C1=CC=C2C(=C1)C(=CN2)C=C(C#N)C(=O)N
Structure:
No comments:
Post a Comment