CAS RN: 1576-68-7
CAS Name: 3-ethylphenanthrene
OPENEYE Name: 3-ethylphenanthrene
IUPAC Name: 3-ethylphenanthrene
SYSTEMATIC NAME: 3-ethylphenanthrene
MOLECULAR FORMULA: C16H14
MOLECULAR WEIGHT: 206.28236
SMILES: CCC1=CC2=C(C=CC3=CC=CC=C32)C=C1
Structure:
CAS RN: 18472-24-7
CAS Name: 1-(1-aziridinylmethyl)piperidine
OPENEYE Name: 1-(aziridin-1-ylmethyl)piperidine
IUPAC Name: 1-(aziridin-1-ylmethyl)piperidine
SYSTEMATIC NAME: 1-(aziridin-1-ylmethyl)piperidine
MOLECULAR FORMULA: C8H16N2
MOLECULAR WEIGHT: 140.22604
SMILES: C1CCN(CC1)CN2CC2
Structure:
CAS RN: 18470-33-2
CAS Name: 1-(1-aziridinylmethyl)pyrrolidine
OPENEYE Name: 1-(aziridin-1-ylmethyl)pyrrolidine
IUPAC Name: 1-(aziridin-1-ylmethyl)pyrrolidine
SYSTEMATIC NAME: 1-(aziridin-1-ylmethyl)pyrrolidine
MOLECULAR FORMULA: C7H14N2
MOLECULAR WEIGHT: 126.19946
SMILES: C1CCN(C1)CN2CC2
Structure:
CAS RN: 120600-86-4
CAS Name: 4-nitrobenzenediazonium hexafluorophosphate
OPENEYE Name: 4-nitrobenzenediazonium hexafluorophosphate
IUPAC Name: 4-nitrobenzenediazonium hexafluorophosphate
SYSTEMATIC NAME: 4-nitrobenzenediazonium hexafluorophosphate
MOLECULAR FORMULA: C6H4F6N3O2P
MOLECULAR WEIGHT: 295.07904
SMILES: C1=CC(=CC=C1[N+]#N)[N+](=O)[O-].F[P-](F)(F)(F)(F)F
Structure:
CAS RN: 1514-52-9
CAS Name: 4-nitrobenzenediazonium hexafluorophosphate
OPENEYE Name: 4-nitrobenzenediazonium hexafluorophosphate
IUPAC Name: 4-nitrobenzenediazonium hexafluorophosphate
SYSTEMATIC NAME: 4-nitrobenzenediazonium hexafluorophosphate
MOLECULAR FORMULA: C6H4F6N3O2P
MOLECULAR WEIGHT: 295.07904
SMILES: C1=CC(=CC=C1[N+]#N)[N+](=O)[O-].F[P-](F)(F)(F)(F)F
Structure:
CAS RN: 1486-39-1
CAS Name: 1-[bis(ethylthio)phosphorylthio]ethane
OPENEYE Name: 1-bis(ethylsulfanyl)phosphorylsulfanylethane
IUPAC Name: 1-bis(ethylsulfanyl)phosphorylsulfanylethane
SYSTEMATIC NAME: 1-bis(ethylsulfanyl)phosphorylsulfanylethane
MOLECULAR FORMULA: C6H15OPS3
MOLECULAR WEIGHT: 230.351461
SMILES: CCSP(=O)(SCC)SCC
Structure:
CAS RN: 1482-50-4
CAS Name: (5R,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (5R,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (5R,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5R,8S,9S,10S,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H32O5
MOLECULAR WEIGHT: 364.47578
SMILES: C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
Structure:
CAS RN: 16820-54-5
CAS Name: 1,1,2,2,4,4,5,5-octafluoro-1,5-dimethoxy-3-pentanone
OPENEYE Name: 1,1,2,2,4,4,5,5-octafluoro-1,5-dimethoxy-pentan-3-one
IUPAC Name: 1,1,2,2,4,4,5,5-octafluoro-1,5-dimethoxypentan-3-one
SYSTEMATIC NAME: 1,1,2,2,4,4,5,5-octakis(fluoranyl)-1,5-dimethoxy-pentan-3-one
MOLECULAR FORMULA: C7H6F8O3
MOLECULAR WEIGHT: 290.107966
SMILES: COC(C(C(=O)C(C(OC)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 1421-80-3
CAS Name: 3-naphtho[1,2-b]phenanthrenol
OPENEYE Name: naphtho[1,2-b]phenanthren-3-ol
IUPAC Name: naphtho[1,2-b]phenanthren-3-ol
SYSTEMATIC NAME: naphtho[1,2-b]phenanthren-3-ol
MOLECULAR FORMULA: C22H14O
MOLECULAR WEIGHT: 294.34596
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=C(C4=C3)C=CC(=C5)O
Structure:
CAS RN: 1344-70-3
CAS Name: copper oxygen(2-)
OPENEYE Name: copper oxygen(2-)
IUPAC Name: copper oxygen(2-)
SYSTEMATIC NAME: copper oxygen(2-)
MOLECULAR FORMULA: CuO
MOLECULAR WEIGHT: 79.5454
SMILES: [O-2].[Cu+2]
Structure:
CAS RN: 12125-21-2
CAS Name: copper dihydroxide
OPENEYE Name: copper dihydroxide
IUPAC Name: copper dihydroxide
SYSTEMATIC NAME: copper dihydroxide
MOLECULAR FORMULA: CuH2O2
MOLECULAR WEIGHT: 97.56068
SMILES: [OH-].[OH-].[Cu+2]
Structure:
CAS RN: 1344-69-0
CAS Name: copper dihydroxide
OPENEYE Name: copper dihydroxide
IUPAC Name: copper dihydroxide
SYSTEMATIC NAME: copper dihydroxide
MOLECULAR FORMULA: CuH2O2
MOLECULAR WEIGHT: 97.56068
SMILES: [OH-].[OH-].[Cu+2]
Structure:
CAS RN: 1333-78-4
CAS Name: potassium; antimony(3+); oxygen(2-)
OPENEYE Name: potassium; antimony(3+); oxygen(2-)
IUPAC Name: potassium; antimony(3+); oxygen(2-)
SYSTEMATIC NAME: potassium; antimony(3+); oxygen(2-)
MOLECULAR FORMULA: KO2Sb
MOLECULAR WEIGHT: 192.8571
SMILES: [O-2].[O-2].[K+].[Sb+3]
Structure:
CAS RN: 8011-72-1
CAS Name: potassium; antimony(3+); oxygen(2-)
OPENEYE Name: potassium; antimony(3+); oxygen(2-)
IUPAC Name: potassium; antimony(3+); oxygen(2-)
SYSTEMATIC NAME: potassium; antimony(3+); oxygen(2-)
MOLECULAR FORMULA: KO2Sb
MOLECULAR WEIGHT: 192.8571
SMILES: [O-2].[O-2].[K+].[Sb+3]
Structure:
CAS RN: 61436-88-2
CAS Name: 1,2-dimethyl-1-cyclohexanol
OPENEYE Name: 1,2-dimethylcyclohexanol
IUPAC Name: 1,2-dimethylcyclohexan-1-ol
SYSTEMATIC NAME: 1,2-dimethylcyclohexan-1-ol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CC1CCCCC1(C)O
Structure:
CAS RN: 1333-45-5
CAS Name: 1,2-dimethyl-1-cyclohexanol
OPENEYE Name: 1,2-dimethylcyclohexanol
IUPAC Name: 1,2-dimethylcyclohexan-1-ol
SYSTEMATIC NAME: 1,2-dimethylcyclohexan-1-ol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CC1CCCCC1(C)O
Structure:
CAS RN: 11130-24-8
CAS Name: vanadium pentasulfide
OPENEYE Name: vanadium pentasulfide
IUPAC Name: vanadium pentasulfide
SYSTEMATIC NAME: vanadium pentasulfide
MOLECULAR FORMULA: S5V2-10
MOLECULAR WEIGHT: 262.208
SMILES: [S-2].[S-2].[S-2].[S-2].[S-2].[V].[V]
Structure:
CAS RN: 1308-85-6
CAS Name: dysprosium(3+) trihydroxide
OPENEYE Name: dysprosium(3+) trihydroxide
IUPAC Name: dysprosium(3+) trihydroxide
SYSTEMATIC NAME: dysprosium(3+) trihydroxide
MOLECULAR FORMULA: DyH3O3
MOLECULAR WEIGHT: 213.52202
SMILES: [OH-].[OH-].[OH-].[Dy+3]
Structure:
CAS RN: 1303-58-8
CAS Name: gold(3+); oxygen(2-)
OPENEYE Name: gold(3+); oxygen(2-)
IUPAC Name: gold(3+); oxygen(2-)
SYSTEMATIC NAME: gold(3+); oxygen(2-)
MOLECULAR FORMULA: Au2O3
MOLECULAR WEIGHT: 441.9313
SMILES: [O-2].[O-2].[O-2].[Au+3].[Au+3]
Structure:
CAS RN: 1302-82-5
CAS Name: dialuminum selenium(2-)
OPENEYE Name: dialuminum selenium(2-)
IUPAC Name: dialuminum selenium(2-)
SYSTEMATIC NAME: dialuminum selenium(2-)
MOLECULAR FORMULA: Al2Se3
MOLECULAR WEIGHT: 290.843076
SMILES: [Al+3].[Al+3].[Se-2].[Se-2].[Se-2]
Structure:
CAS RN: 1300-92-1
CAS Name: 2-anilinobenzenesulfonate; barium(2+)
OPENEYE Name: 2-anilinobenzenesulfonate; barium(2+)
IUPAC Name: 2-anilinobenzenesulfonate; barium(2+)
SYSTEMATIC NAME: barium(2+); 2-phenylazanylbenzenesulfonate
MOLECULAR FORMULA: C24H20BaN2O6S2
MOLECULAR WEIGHT: 633.8824
SMILES: C1=CC=C(C=C1)NC2=CC=CC=C2S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=CC=C2S(=O)(=O)[O-].[Ba+2]
Structure:
CAS RN: 1264-51-3
CAS Name: acetic acid [4-hydroxy-6-[[4-hydroxy-6-[[4-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-3-oxanyl]oxy]-2-methyl-3-oxanyl]oxy]-2-methyl-3-oxanyl] es
OPENEYE Name: [4-hydroxy-6-[4-hydroxy-6-[4-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-tetr
IUPAC Name: [4-hydroxy-6-[4-hydroxy-6-[4-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl] acetate
SYSTEMATIC NAME: [6-[6-[6-[[10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl] e
MOLECULAR FORMULA: C43H66O14
MOLECULAR WEIGHT: 806.97574
SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C)O)O
Structure:
CAS RN: 1212-48-2
CAS Name: 2-(phenylmethyl)-1H-benzimidazole hydrochloride
OPENEYE Name: 2-benzyl-1H-benzimidazole hydrochloride
IUPAC Name: 2-benzyl-1H-benzimidazole hydrochloride
SYSTEMATIC NAME: 2-(phenylmethyl)-1H-benzimidazole hydrochloride
MOLECULAR FORMULA: C14H13ClN2
MOLECULAR WEIGHT: 244.71942
SMILES: C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2.Cl
Structure:
CAS RN: 1188-07-4
CAS Name: (2S)-2-amino-6-(methylamino)hexanoic acid
OPENEYE Name: (2S)-2-amino-6-(methylamino)hexanoic acid
IUPAC Name: (2S)-2-amino-6-(methylamino)hexanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-6-(methylamino)hexanoic acid
MOLECULAR FORMULA: C7H16N2O2
MOLECULAR WEIGHT: 160.21414
SMILES: CNCCCC[C@@H](C(=O)O)N
Structure:
CAS RN: 1186-50-1
CAS Name: neodymium(3+); oxalate
OPENEYE Name: neodymium(3+); oxalate
IUPAC Name: neodymium(3+); oxalate
SYSTEMATIC NAME: ethanedioate; neodymium(3+)
MOLECULAR FORMULA: C6Nd2O12
MOLECULAR WEIGHT: 552.537
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Nd+3].[Nd+3]
Structure:
CAS RN: 112008-41-0
CAS Name: neodymium(3+); oxalate
OPENEYE Name: neodymium(3+); oxalate
IUPAC Name: neodymium(3+); oxalate
SYSTEMATIC NAME: ethanedioate; neodymium(3+)
MOLECULAR FORMULA: C6Nd2O12
MOLECULAR WEIGHT: 552.537
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Nd+3].[Nd+3]
Structure:
CAS RN: 112096-91-0
CAS Name: neodymium(3+); oxalate
OPENEYE Name: neodymium(3+); oxalate
IUPAC Name: neodymium(3+); oxalate
SYSTEMATIC NAME: ethanedioate; neodymium(3+)
MOLECULAR FORMULA: C6Nd2O12
MOLECULAR WEIGHT: 552.537
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Nd+3].[Nd+3]
Structure:
CAS RN: 118720-54-0
CAS Name: neodymium(3+); oxalate
OPENEYE Name: neodymium(3+); oxalate
IUPAC Name: neodymium(3+); oxalate
SYSTEMATIC NAME: ethanedioate; neodymium(3+)
MOLECULAR FORMULA: C6Nd2O12
MOLECULAR WEIGHT: 552.537
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Nd+3].[Nd+3]
Structure:
CAS RN: 134447-89-5
CAS Name: neodymium(3+); oxalate
OPENEYE Name: neodymium(3+); oxalate
IUPAC Name: neodymium(3+); oxalate
SYSTEMATIC NAME: ethanedioate; neodymium(3+)
MOLECULAR FORMULA: C6Nd2O12
MOLECULAR WEIGHT: 552.537
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Nd+3].[Nd+3]
Structure:
CAS RN: 137424-82-9
CAS Name: neodymium(3+); oxalate
OPENEYE Name: neodymium(3+); oxalate
IUPAC Name: neodymium(3+); oxalate
SYSTEMATIC NAME: ethanedioate; neodymium(3+)
MOLECULAR FORMULA: C6Nd2O12
MOLECULAR WEIGHT: 552.537
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Nd+3].[Nd+3]
Structure:
CAS RN: 28877-85-2
CAS Name: neodymium(3+); oxalate
OPENEYE Name: neodymium(3+); oxalate
IUPAC Name: neodymium(3+); oxalate
SYSTEMATIC NAME: ethanedioate; neodymium(3+)
MOLECULAR FORMULA: C6Nd2O12
MOLECULAR WEIGHT: 552.537
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Nd+3].[Nd+3]
Structure:
CAS RN: 12550-27-5
CAS Name: europium(3+) triacetate
OPENEYE Name: europium(3+) triacetate
IUPAC Name: europium(3+) triacetate
SYSTEMATIC NAME: europium(3+) triethanoate
MOLECULAR FORMULA: C6H9EuO6
MOLECULAR WEIGHT: 329.09606
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Eu+3]
Structure:
CAS RN: 1180-34-3
CAS Name: acetic acid [(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl] ester
OPENEYE Name: [(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl] acetate
IUPAC Name: [(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] acetate
SYSTEMATIC NAME: [(5R,5aR,8aR,9R)-8-oxidanylidene-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] ethanoate
MOLECULAR FORMULA: C24H24O9
MOLECULAR WEIGHT: 456.44196
SMILES: CC(=O)O[C@@H]1[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)OC)OC
Structure:
CAS RN: 13837-48-4
CAS Name: acetic acid [(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl] ester
OPENEYE Name: [(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl] acetate
IUPAC Name: [(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] acetate
SYSTEMATIC NAME: [(5R,5aR,8aR,9R)-8-oxidanylidene-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] ethanoate
MOLECULAR FORMULA: C24H24O9
MOLECULAR WEIGHT: 456.44196
SMILES: CC(=O)O[C@@H]1[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)OC)OC
Structure:
CAS RN: 1146-71-0
CAS Name: 7,9-dimethoxy-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one
OPENEYE Name: 7,9-dimethoxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
IUPAC Name: 7,9-dimethoxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SYSTEMATIC NAME: 7,9-dimethoxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
MOLECULAR FORMULA: C14H14O4
MOLECULAR WEIGHT: 246.25856
SMILES: COC1=CC(=C2C3=C(CCC3)C(=O)OC2=C1)OC
Structure:
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