CAS RN: 78576-70-2
CAS Name: 4,5-dichloro-2-(2,3,4,5,6-pentachlorophenoxy)phenol
OPENEYE Name: 4,5-dichloro-2-(2,3,4,5,6-pentachlorophenoxy)phenol
IUPAC Name: 4,5-dichloro-2-(2,3,4,5,6-pentachlorophenoxy)phenol
SYSTEMATIC NAME: 4,5-bis(chloranyl)-2-[2,3,4,5,6-pentakis(chloranyl)phenoxy]phenol
MOLECULAR FORMULA: C12H3Cl7O2
MOLECULAR WEIGHT: 427.32202
SMILES: C1=C(C(=CC(=C1Cl)Cl)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)O
Structure:
CAS RN: 84236-31-7
CAS Name: 4,5-dichloro-2-(2,3,4,5,6-pentachlorophenoxy)phenol
OPENEYE Name: 4,5-dichloro-2-(2,3,4,5,6-pentachlorophenoxy)phenol
IUPAC Name: 4,5-dichloro-2-(2,3,4,5,6-pentachlorophenoxy)phenol
SYSTEMATIC NAME: 4,5-bis(chloranyl)-2-[2,3,4,5,6-pentakis(chloranyl)phenoxy]phenol
MOLECULAR FORMULA: C12H3Cl7O2
MOLECULAR WEIGHT: 427.32202
SMILES: C1=C(C(=CC(=C1Cl)Cl)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)O
Structure:
CAS RN: 90007-01-5
CAS Name: (2S)-2-[[(2S)-2-[[hydroxy-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]phosphoryl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)propanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[hydroxy-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-phosphoryl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[hydroxy-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxidanyl-phosphoryl]amino]pentanoyl]amino]propanoic acid
MOLECULAR FORMULA: C23H34N3O10P
MOLECULAR WEIGHT: 543.503921
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O
Structure:
CAS RN: 90005-77-9
CAS Name: 3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propanenitrile
OPENEYE Name: 3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propanenitrile
IUPAC Name: 3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propanenitrile
SYSTEMATIC NAME: 3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propanenitrile
MOLECULAR FORMULA: C15H15F3N2
MOLECULAR WEIGHT: 280.28821
SMILES: C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC#N
Structure:
CAS RN: 89984-23-6
CAS Name: (3R)-3-(2-hydroxypropan-2-yl)-6-methyl-10-spiro[4.5]dec-9-enecarboxylic acid
OPENEYE Name: (3R)-3-(1-hydroxy-1-methyl-ethyl)-6-methyl-spiro[4.5]dec-9-ene-10-carboxylic acid
IUPAC Name: (3R)-3-(2-hydroxypropan-2-yl)-6-methylspiro[4.5]dec-9-ene-10-carboxylic acid
SYSTEMATIC NAME: (3R)-6-methyl-3-(2-oxidanylpropan-2-yl)spiro[4.5]dec-9-ene-10-carboxylic acid
MOLECULAR FORMULA: C15H24O3
MOLECULAR WEIGHT: 252.34926
SMILES: CC1CCC=C(C12CC[C@H](C2)C(C)(C)O)C(=O)O
Structure:
CAS RN: 84170-14-9
CAS Name: 2,3,4,5-tetrachloro-6-(2,3,4,5-tetrachlorophenoxy)phenol
OPENEYE Name: 2,3,4,5-tetrachloro-6-(2,3,4,5-tetrachlorophenoxy)phenol
IUPAC Name: 2,3,4,5-tetrachloro-6-(2,3,4,5-tetrachlorophenoxy)phenol
SYSTEMATIC NAME: 2,3,4,5-tetrakis(chloranyl)-6-[2,3,4,5-tetrakis(chloranyl)phenoxy]phenol
MOLECULAR FORMULA: C12H2Cl8O2
MOLECULAR WEIGHT: 461.76708
SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)O
Structure:
CAS RN: 63709-59-1
CAS Name: 4,5-dichloro-2-(2,3,5,6-tetrachlorophenoxy)phenol
OPENEYE Name: 4,5-dichloro-2-(2,3,5,6-tetrachlorophenoxy)phenol
IUPAC Name: 4,5-dichloro-2-(2,3,5,6-tetrachlorophenoxy)phenol
SYSTEMATIC NAME: 4,5-bis(chloranyl)-2-[2,3,5,6-tetrakis(chloranyl)phenoxy]phenol
MOLECULAR FORMULA: C12H4Cl6O2
MOLECULAR WEIGHT: 392.87696
SMILES: C1=C(C(=CC(=C1Cl)Cl)OC2=C(C(=CC(=C2Cl)Cl)Cl)Cl)O
Structure:
CAS RN: 84145-88-0
CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-amino-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanamide
OPENEYE Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-aminopropanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-aminopropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[2-[[(2R)-2-azanylpropanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
MOLECULAR FORMULA: C20H31N5O4
MOLECULAR WEIGHT: 405.49124
SMILES: C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N)N
Structure:
CAS RN: 84145-87-9
CAS Name: 2-(5-amino-2-methyl-1-imidazolyl)ethanol
OPENEYE Name: 2-(5-amino-2-methyl-imidazol-1-yl)ethanol
IUPAC Name: 2-(5-amino-2-methylimidazol-1-yl)ethanol
SYSTEMATIC NAME: 2-(5-azanyl-2-methyl-imidazol-1-yl)ethanol
MOLECULAR FORMULA: C6H11N3O
MOLECULAR WEIGHT: 141.17104
SMILES: CC1=NC=C(N1CCO)N
Structure:
CAS RN: 84145-79-9
CAS Name: (7-amino-2-methyl-3-phenoxazinylidene)-ethylammonium
OPENEYE Name: (7-amino-2-methyl-phenoxazin-3-ylidene)-ethyl-ammonium
IUPAC Name: (7-amino-2-methylphenoxazin-3-ylidene)-ethylazanium
SYSTEMATIC NAME: (7-azanyl-2-methyl-phenoxazin-3-ylidene)-ethyl-azanium
MOLECULAR FORMULA: C15H16N3O+
MOLECULAR WEIGHT: 254.30704
SMILES: CC[NH+]=C1C=C2C(=NC3=C(O2)C=C(C=C3)N)C=C1C
Structure:
CAS RN: 84145-82-4
CAS Name: (7-amino-2-methyl-3-phenoxazinylidene)-ethylammonium
OPENEYE Name: (7-amino-2-methyl-phenoxazin-3-ylidene)-ethyl-ammonium
IUPAC Name: (7-amino-2-methylphenoxazin-3-ylidene)-ethylazanium
SYSTEMATIC NAME: (7-azanyl-2-methyl-phenoxazin-3-ylidene)-ethyl-azanium
MOLECULAR FORMULA: C15H16N3O+
MOLECULAR WEIGHT: 254.30704
SMILES: CC[NH+]=C1C=C2C(=NC3=C(O2)C=C(C=C3)N)C=C1C
Structure:
CAS RN: 84104-83-6
CAS Name: (2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid methyl ester
OPENEYE Name: methyl (2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate
IUPAC Name: methyl (2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate
SYSTEMATIC NAME: methyl (2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-4,10-bis(oxidanyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate
MOLECULAR FORMULA: C31H50O4
MOLECULAR WEIGHT: 486.7263
SMILES: C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4C[C@@](C[C@@H]5O)(C)C(=O)OC)C)C)C)(C)C)O
Structure:
CAS RN: 84095-08-9
CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (7,7-dimethyl-7-azoniabicyclo[2.2.1]heptan-3-yl) ester bromide
OPENEYE Name: (7,7-dimethyl-7-azoniabicyclo[2.2.1]heptan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate bromide
IUPAC Name: (7,7-dimethyl-7-azoniabicyclo[2.2.1]heptan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide
SYSTEMATIC NAME: (7,7-dimethyl-7-azoniabicyclo[2.2.1]heptan-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide
MOLECULAR FORMULA: C21H30BrNO3
MOLECULAR WEIGHT: 424.3718
SMILES: C[N+]1(C2CCC1C(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O)C.[Br-]
Structure:
CAS RN: 84067-18-5
CAS Name: 2,5,9-trimethyl-4-[[methyl-[3-[methyl-[3-[methyl-[3-[methyl-[(2,5,9-trimethyl-7-oxo-4-furo[3,2-g][1]benzopyranyl)methyl]amino]propyl]amino]propyl]amino]propyl]amino]methyl]-7-furo[3,2-g][1]benzopyranone
OPENEYE Name: 2,5,9-trimethyl-4-[[methyl-[3-[methyl-[3-[methyl-[3-[methyl-[(2,5,9-trimethyl-7-oxo-furo[3,2-g]chromen-4-yl)methyl]amino]propyl]amino]propyl]amino]propyl]amino]methyl]furo[3,2-g]chromen-7-one
IUPAC Name: 2,5,9-trimethyl-4-[[methyl-[3-[methyl-[3-[methyl-[3-[methyl-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-4-yl)methyl]amino]propyl]amino]propyl]amino]propyl]amino]methyl]furo[3,2-g]chromen-7-one
SYSTEMATIC NAME: 2,5,9-trimethyl-4-[[methyl-[3-[methyl-[3-[methyl-[3-[methyl-[(2,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-4-yl)methyl]amino]propyl]amino]propyl]amino]propyl]amino]methyl]furo[3,2-g]chromen-7-one
MOLECULAR FORMULA: C43H56N4O6
MOLECULAR WEIGHT: 724.92794
SMILES: CC1=CC(=O)OC2=C1C(=C3C=C(OC3=C2C)C)CN(C)CCCN(C)CCCN(C)CCCN(C)CC4=C5C=C(OC5=C(C6=C4C(=CC(=O)O6)C)C)C
Structure:
CAS RN: 84062-61-3
CAS Name: [(2S)-2-acetyloxy-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2S)-2-acetoxy-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2S)-2-acetyloxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2S)-2-acetyloxy-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C26H52NO8P
MOLECULAR WEIGHT: 537.666741
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C
Structure:
CAS RN: 898-77-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H39BrN2O9
MOLECULAR WEIGHT: 687.57476
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@H]4C[C@H]5[C@H](C[C@H]([C@@H]([C@H]5C(=O)OBr)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC)CN4CC3
Structure:
CAS RN: 157-18-6
CAS Name: 1,1-dibutylstannole-2,5-dione
OPENEYE Name: 1,1-dibutylstannole-2,5-dione
IUPAC Name: 1,1-dibutylstannole-2,5-dione
SYSTEMATIC NAME: 1,1-dibutylstannole-2,5-dione
MOLECULAR FORMULA: C12H20O2Sn
MOLECULAR WEIGHT: 314.996
SMILES: CCCC[Sn]1(C(=O)C=CC1=O)CCCC
Structure:
CAS RN: 14245-62-6
CAS Name: ethanesulfonic acid propan-2-yl ester
OPENEYE Name: isopropyl ethanesulfonate
IUPAC Name: propan-2-yl ethanesulfonate
SYSTEMATIC NAME: propan-2-yl ethanesulfonate
MOLECULAR FORMULA: C5H12O3S
MOLECULAR WEIGHT: 152.21198
SMILES: CCS(=O)(=O)OC(C)C
Structure:
CAS RN: 13788-41-5
CAS Name: 1-(3-chlorophenyl)-1,2-dimethylguanidine
OPENEYE Name: 1-(3-chlorophenyl)-1,2-dimethyl-guanidine
IUPAC Name: 1-(3-chlorophenyl)-1,2-dimethylguanidine
SYSTEMATIC NAME: 1-(3-chlorophenyl)-1,2-dimethyl-guanidine
MOLECULAR FORMULA: C9H12ClN3
MOLECULAR WEIGHT: 197.66468
SMILES: CN=C(N)N(C)C1=CC(=CC=C1)Cl
Structure:
CAS RN: 110140-69-7
CAS Name: thorium(4+) tetranitrate tetrahydrate
OPENEYE Name: thorium(4+) tetranitrate tetrahydrate
IUPAC Name: thorium(4+) tetranitrate tetrahydrate
SYSTEMATIC NAME: thorium(4+) tetranitrate tetrahydrate
MOLECULAR FORMULA: H8N4O16Th
MOLECULAR WEIGHT: 552.11882
SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.[Th+4]
Structure:
CAS RN: 13189-98-5
CAS Name: (2R)-2-amino-3-(3-hydroxypropylthio)propanoic acid
OPENEYE Name: (2R)-2-amino-3-(3-hydroxypropylsulfanyl)propanoic acid
IUPAC Name: (2R)-2-amino-3-(3-hydroxypropylsulfanyl)propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-(3-oxidanylpropylsulfanyl)propanoic acid
MOLECULAR FORMULA: C6H13NO3S
MOLECULAR WEIGHT: 179.23732
SMILES: C(CO)CSC[C@@H](C(=O)O)N
Structure:
CAS RN: 13123-05-2
CAS Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methyl-6-tritiopyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-6-tritio-pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-6-tritiopyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-6-tritio-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H14N2O5
MOLECULAR WEIGHT: 244.236669
SMILES: [3H]C1=C(C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)CO)O)C
Structure:
CAS RN: 1321-35-3
CAS Name: (7R,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-7-tritio-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (7R,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-7-tritio-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (7R,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-7-tritio-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (7R,8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-7-tritio-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H30O2
MOLECULAR WEIGHT: 316.469809
SMILES: [H][C@]1(CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)C(=O)C)C)[3H]
Structure:
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