CAS RN: 40105-60-0
CAS Name: 3-(2,4-dihydroxyphenyl)-5-hydroxy-8-(3-methylbut-2-enyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-olate
OPENEYE Name: 3-(2,4-dihydroxyphenyl)-5-hydroxy-8-(3-methylbut-2-enyl)-4-oxo-chroman-7-olate
IUPAC Name: 3-(2,4-dihydroxyphenyl)-5-hydroxy-8-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-7-olate
SYSTEMATIC NAME: 3-[2,4-bis(oxidanyl)phenyl]-8-(3-methylbut-2-enyl)-5-oxidanyl-4-oxidanylidene-2,3-dihydrochromen-7-olate
MOLECULAR FORMULA: C20H19O6-
MOLECULAR WEIGHT: 355.36126
SMILES: CC(=CCC1=C2C(=C(C=C1[O-])O)C(=O)C(CO2)C3=C(C=C(C=C3)O)O)C
Structure:
CAS RN: 31519-20-7
CAS Name: (2S,3S)-2-hydroxy-2,3-dimethylbutanedioate
OPENEYE Name: (2S,3S)-2-hydroxy-2,3-dimethyl-butanedioate
IUPAC Name: (2S,3S)-2-hydroxy-2,3-dimethylbutanedioate
SYSTEMATIC NAME: (2S,3S)-2,3-dimethyl-2-oxidanyl-butanedioate
MOLECULAR FORMULA: C6H8O5-2
MOLECULAR WEIGHT: 160.12472
SMILES: C[C@H](C(=O)[O-])[C@@](C)(C(=O)[O-])O
Structure:
CAS RN: 73522-92-6
CAS Name: (2S,3S)-2-hydroxy-2,3-dimethylbutanedioate
OPENEYE Name: (2S,3S)-2-hydroxy-2,3-dimethyl-butanedioate
IUPAC Name: (2S,3S)-2-hydroxy-2,3-dimethylbutanedioate
SYSTEMATIC NAME: (2S,3S)-2,3-dimethyl-2-oxidanyl-butanedioate
MOLECULAR FORMULA: C6H8O5-2
MOLECULAR WEIGHT: 160.12472
SMILES: C[C@H](C(=O)[O-])[C@@](C)(C(=O)[O-])O
Structure:
CAS RN: 13749-37-6
CAS Name: dioxoniobium hydrofluoride
OPENEYE Name: dioxoniobium hydrofluoride
IUPAC Name: dioxoniobium hydrofluoride
SYSTEMATIC NAME: bis(oxidanylidene)niobium hydrofluoride
MOLECULAR FORMULA: FHNbO2
MOLECULAR WEIGHT: 144.911523
SMILES: O=[Nb]=O.F
Structure:
CAS RN: 5348-81-2
CAS Name: [3-[[[2-(carboxymethoxy)phenyl]-oxomethyl]amino]-2-hydroxypropyl]mercury hydrate
OPENEYE Name: [3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxy-propyl]mercury hydrate
IUPAC Name: [3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury hydrate
SYSTEMATIC NAME: [3-[[2-(2-hydroxy-2-oxoethyloxy)phenyl]carbonylamino]-2-oxidanyl-propyl]mercury hydrate
MOLECULAR FORMULA: C12H16HgNO6
MOLECULAR WEIGHT: 470.84854
SMILES: C1=CC=C(C(=C1)C(=O)NCC(C[Hg])O)OCC(=O)O.O
Structure:
CAS RN: 2420-13-5
CAS Name: N-[(3S)-2,6-dioxo-3-oxanyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(3S)-2,6-dioxotetrahydropyran-3-yl]carbamate
IUPAC Name: tert-butyl N-[(3S)-2,6-dioxooxan-3-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(3S)-2,6-bis(oxidanylidene)oxan-3-yl]carbamate
MOLECULAR FORMULA: C10H15NO5
MOLECULAR WEIGHT: 229.2298
SMILES: CC(C)(C)OC(=O)N[C@H]1CCC(=O)OC1=O
Structure:
CAS RN: 14119-17-6
CAS Name: tin-120
OPENEYE Name: tin-120
IUPAC Name: tin-120
SYSTEMATIC NAME: tin-120
MOLECULAR FORMULA: Sn
MOLECULAR WEIGHT: 119.902197
SMILES: [120Sn]
Structure:
CAS RN: 173471-71-1
CAS Name: 6-(dimethylamino)-2-naphthalenecarboxaldehyde
OPENEYE Name: 6-(dimethylamino)naphthalene-2-carbaldehyde
IUPAC Name: 6-(dimethylamino)naphthalene-2-carbaldehyde
SYSTEMATIC NAME: 6-(dimethylamino)naphthalene-2-carbaldehyde
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: CN(C)C1=CC2=C(C=C1)C=C(C=C2)C=O
Structure:
CAS RN: 1062368-24-4
CAS Name: 4-[6-[4-(1-piperazinyl)phenyl]-3-pyrazolo[1,5-a]pyrimidinyl]quinoline
OPENEYE Name: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
IUPAC Name: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SYSTEMATIC NAME: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
MOLECULAR FORMULA: C25H22N6
MOLECULAR WEIGHT: 406.48238
SMILES: C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3
Structure:
CAS RN: 939986-65-9
CAS Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridine
OPENEYE Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridine
IUPAC Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C12H15BF3NO2
MOLECULAR WEIGHT: 273.05921
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=NC=CC(=C2)C(F)(F)F
Structure:
CAS RN: 1098343-82-8
CAS Name: 1-acetyl-3-piperidinecarbohydrazide
OPENEYE Name: 1-acetylpiperidine-3-carbohydrazide
IUPAC Name: 1-acetylpiperidine-3-carbohydrazide
SYSTEMATIC NAME: 1-ethanoylpiperidine-3-carbohydrazide
MOLECULAR FORMULA: C8H15N3O2
MOLECULAR WEIGHT: 185.2236
SMILES: CC(=O)N1CCCC(C1)C(=O)NN
Structure:
CAS RN: 4079-64-5
CAS Name: (2R)-2-aminobutanedioic acid bis(phenylmethyl) ester; 4-methylbenzenesulfonic acid
OPENEYE Name: dibenzyl (2R)-2-aminobutanedioate; 4-methylbenzenesulfonic acid
IUPAC Name: dibenzyl (2R)-2-aminobutanedioate; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: bis(phenylmethyl) (2R)-2-azanylbutanedioate; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C25H27NO7S
MOLECULAR WEIGHT: 485.54938
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)C[C@H](C(=O)OCC2=CC=CC=C2)N
Structure:
CAS RN: 1106685-66-8
CAS Name: 2-[[4-(hydroxymethyl)-6-methyl-2-pyrimidinyl]oxy]-3-methoxy-3,3-diphenylpropanoic acid
OPENEYE Name: 2-[4-(hydroxymethyl)-6-methyl-pyrimidin-2-yl]oxy-3-methoxy-3,3-diphenyl-propanoic acid
IUPAC Name: 2-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]oxy-3-methoxy-3,3-diphenylpropanoic acid
SYSTEMATIC NAME: 2-[4-(hydroxymethyl)-6-methyl-pyrimidin-2-yl]oxy-3-methoxy-3,3-diphenyl-propanoic acid
MOLECULAR FORMULA: C22H22N2O5
MOLECULAR WEIGHT: 394.42048
SMILES: CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)CO
Structure:
CAS RN: 1109217-85-7
CAS Name: (1R,2R)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)-1-cyclohexanol
OPENEYE Name: (1R,2R)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexanol
IUPAC Name: (1R,2R)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
SYSTEMATIC NAME: (1R,2R)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
MOLECULAR FORMULA: C16H25NO2
MOLECULAR WEIGHT: 269.412171
SMILES: [2H]C([2H])([2H])N(C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O)C([2H])([2H])[2H]
Structure:
CAS RN: 857402-23-4
CAS Name: carbamic acid [(3R,5S,6R,7S,8E,10S,12Z,14E)-6,20,22-trihydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16-oxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] ester
OPENEYE Name: [(3R,5S,6R,7S,8E,10S,12Z,14E)-21-(allylamino)-6,20,22-trihydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16-oxo-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] carbamate
IUPAC Name: [(3R,5S,6R,7S,8E,10S,12Z,14E)-6,20,22-trihydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16-oxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] carbamate
SYSTEMATIC NAME: [(3R,5S,6R,7S,8E,10S,12Z,14E)-5,11-dimethoxy-3,7,9,15-tetramethyl-6,20,22-tris(oxidanyl)-16-oxidanylidene-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] carbamate
MOLECULAR FORMULA: C31H45N3O8
MOLECULAR WEIGHT: 587.7043
SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H](C(/C=C\C=C(\C(=O)NC2=CC(=C(C(=C2O)C1)NCC=C)O)/C)OC)OC(=O)N)\C)C)O)OC
Structure:
CAS RN: 138067-54-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C63H65N5O24S2
MOLECULAR WEIGHT: 1340.3393
SMILES: CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=CC=CC=C1OCCOC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)C4=C5C=C6CCC[N+]7=C6C(=C5OC8=C9CCCN1C9=C(CCC1)C=C48)CCC7)S(=O)(=O)[O-])N(C(=O)OCOC(=O)C)C(=O)OCOC(=O)C
Structure:
CAS RN: 1054624-77-9
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[2-(trideuteriomethoxy)phenoxy]propyl]-1-piperazinyl]acetamide
OPENEYE Name: N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[2-(trideuteriomethoxy)phenoxy]propyl]piperazin-1-yl]acetamide
IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[2-(trideuteriomethoxy)phenoxy]propyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-oxidanyl-3-[2-(trideuteriomethoxy)phenoxy]propyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C24H33N3O4
MOLECULAR WEIGHT: 430.555005
SMILES: [2H]C([2H])([2H])OC1=CC=CC=C1OCC(CN2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C)O
Structure:
CAS RN: 187865-22-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H37N3O4
MOLECULAR WEIGHT: 479.61108
SMILES: C[C@]1(CCN2[C@]13C[C@@H]4[C@](C2)(C[C@]5(C4(C)C)CNC6=C5C=CC7=C6OC=CC(O7)(C)C)N(C3=O)C)O
Structure:
CAS RN: 39290-91-0
CAS Name: niobium(5+) pentasulfide
OPENEYE Name: niobium(5+) pentasulfide
IUPAC Name: niobium(5+) pentasulfide
SYSTEMATIC NAME: niobium(5+) pentasulfide
MOLECULAR FORMULA: Nb2S5
MOLECULAR WEIGHT: 346.13776
SMILES: [S-2].[S-2].[S-2].[S-2].[S-2].[Nb+5].[Nb+5]
Structure:
CAS RN: 12013-10-4
CAS Name: cobalt(3+) trisulfide
OPENEYE Name: dicobaltic trisulfide
IUPAC Name: cobalt(3+) trisulfide
SYSTEMATIC NAME: cobalt(3+) trisulfide
MOLECULAR FORMULA: Co2S3
MOLECULAR WEIGHT: 214.0614
SMILES: [S-2].[S-2].[S-2].[Co+3].[Co+3]
Structure:
CAS RN: 12044-49-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: As2Mg3
MOLECULAR WEIGHT: 222.7582
SMILES: [Mg]=[As][Mg][As]=[Mg]
Structure:
CAS RN: 12040-13-0
CAS Name: tellurium; thallium
OPENEYE Name: tellurium; thallium
IUPAC Name: tellurium; thallium
SYSTEMATIC NAME: tellurium; thallium
MOLECULAR FORMULA: TeTl2
MOLECULAR WEIGHT: 536.3666
SMILES: [Te].[Tl].[Tl]
Structure:
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