CAS RN: 381-67-9
CAS Name: 2-methyl-2-propenoyl fluoride
OPENEYE Name: 2-methylprop-2-enoyl fluoride
IUPAC Name: 2-methylprop-2-enoyl fluoride
SYSTEMATIC NAME: 2-methylprop-2-enoyl fluoride
MOLECULAR FORMULA: C4H5FO
MOLECULAR WEIGHT: 88.080303
SMILES: CC(=C)C(=O)F
Structure:
CAS RN: 380-94-9
CAS Name: 2-methyl-2,4,6-tris(trifluoromethyl)pyran
OPENEYE Name: 2-methyl-2,4,6-tris(trifluoromethyl)pyran
IUPAC Name: 2-methyl-2,4,6-tris(trifluoromethyl)pyran
SYSTEMATIC NAME: 2-methyl-2,4,6-tris(trifluoromethyl)pyran
MOLECULAR FORMULA: C9H5F9O
MOLECULAR WEIGHT: 300.121029
SMILES: CC1(C=C(C=C(O1)C(F)(F)F)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 378-03-0
CAS Name: 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid
OPENEYE Name: 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid
IUPAC Name: 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid
SYSTEMATIC NAME: 2,2,3,3-tetrakis(fluoranyl)-3-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid
MOLECULAR FORMULA: C6HF11O3
MOLECULAR WEIGHT: 330.052775
SMILES: C(=O)(C(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
Structure:
CAS RN: 376-34-1
CAS Name: ammonium 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate
OPENEYE Name: ammonium 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate
IUPAC Name: azanium 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate
SYSTEMATIC NAME: azanium 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)heptanoate
MOLECULAR FORMULA: C7H5F12NO2
MOLECULAR WEIGHT: 363.100938
SMILES: C(C(C(C(C(C(C(=O)[O-])(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[NH4+]
Structure:
CAS RN: 373-89-7
CAS Name: 2,2,2-trifluoroethanamine hydrofluoride
OPENEYE Name: 2,2,2-trifluoroethanamine hydrofluoride
IUPAC Name: 2,2,2-trifluoroethanamine hydrofluoride
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)ethanamine hydrofluoride
MOLECULAR FORMULA: C2H5F4N
MOLECULAR WEIGHT: 119.061413
SMILES: C(C(F)(F)F)N.F
Structure:
CAS RN: 362-86-7
CAS Name: 3-(4-fluorophenyl)-3-phenylpropanoic acid
OPENEYE Name: 3-(4-fluorophenyl)-3-phenyl-propanoic acid
IUPAC Name: 3-(4-fluorophenyl)-3-phenylpropanoic acid
SYSTEMATIC NAME: 3-(4-fluorophenyl)-3-phenyl-propanoic acid
MOLECULAR FORMULA: C15H13FO2
MOLECULAR WEIGHT: 244.260923
SMILES: C1=CC=C(C=C1)C(CC(=O)O)C2=CC=C(C=C2)F
Structure:
CAS RN: 359-32-0
CAS Name: 2-chloro-2-fluoroacetyl chloride
OPENEYE Name: 2-chloro-2-fluoro-acetyl chloride
IUPAC Name: 2-chloro-2-fluoroacetyl chloride
SYSTEMATIC NAME: 2-chloranyl-2-fluoranyl-ethanoyl chloride
MOLECULAR FORMULA: C2HCl2FO
MOLECULAR WEIGHT: 130.933143
SMILES: C(C(=O)Cl)(F)Cl
Structure:
CAS RN: 359-01-3
CAS Name: 2-fluorobutane
OPENEYE Name: 2-fluorobutane
IUPAC Name: 2-fluorobutane
SYSTEMATIC NAME: 2-fluoranylbutane
MOLECULAR FORMULA: C4H9F
MOLECULAR WEIGHT: 76.112663
SMILES: CCC(C)F
Structure:
CAS RN: 357-47-1
CAS Name: 2,2,3,3,3-pentafluoropropanoic acid ethenyl ester
OPENEYE Name: vinyl 2,2,3,3,3-pentafluoropropanoate
IUPAC Name: ethenyl 2,2,3,3,3-pentafluoropropanoate
SYSTEMATIC NAME: ethenyl 2,2,3,3,3-pentakis(fluoranyl)propanoate
MOLECULAR FORMULA: C5H3F5O2
MOLECULAR WEIGHT: 190.068136
SMILES: C=COC(=O)C(C(F)(F)F)(F)F
Structure:
CAS RN: 356-81-0
CAS Name: 2,2,3,3-tetrafluoro-1-cyclobutanecarbonitrile
OPENEYE Name: 2,2,3,3-tetrafluorocyclobutanecarbonitrile
IUPAC Name: 2,2,3,3-tetrafluorocyclobutane-1-carbonitrile
SYSTEMATIC NAME: 2,2,3,3-tetrakis(fluoranyl)cyclobutane-1-carbonitrile
MOLECULAR FORMULA: C5H3F4N
MOLECULAR WEIGHT: 153.077633
SMILES: C1C(C(C1(F)F)(F)F)C#N
Structure:
CAS RN: 356-47-8
CAS Name: 2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane
OPENEYE Name: 2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)tetrahydropyran
IUPAC Name: 2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane
SYSTEMATIC NAME: 2,2,3,3,4,4,5,5,6-nonakis(fluoranyl)-6-(trifluoromethyl)oxane
MOLECULAR FORMULA: C6F12O
MOLECULAR WEIGHT: 316.044438
SMILES: C1(C(C(OC(C1(F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F
Structure:
CAS RN: 354-20-1
CAS Name: 2-bromo-1-chloro-1,1,2-trifluoroethane
OPENEYE Name: 2-bromo-1-chloro-1,1,2-trifluoro-ethane
IUPAC Name: 2-bromo-1-chloro-1,1,2-trifluoroethane
SYSTEMATIC NAME: 2-bromanyl-1-chloranyl-1,1,2-tris(fluoranyl)ethane
MOLECULAR FORMULA: C2HBrClF3
MOLECULAR WEIGHT: 197.38155
SMILES: C(C(F)(F)Cl)(F)Br
Structure:
CAS RN: 307-87-9
CAS Name: 2-propenoic acid 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl ester
OPENEYE Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl prop-2-enoate
IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl prop-2-enoate
SYSTEMATIC NAME: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecakis(fluoranyl)nonyl prop-2-enoate
MOLECULAR FORMULA: C12H5F17O2
MOLECULAR WEIGHT: 504.139754
SMILES: C=CC(=O)OCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 270-68-8
CAS Name: 2H-isoindole
OPENEYE Name: 2H-isoindole
IUPAC Name: 2H-isoindole
SYSTEMATIC NAME: 2H-isoindole
MOLECULAR FORMULA: C8H7N
MOLECULAR WEIGHT: 117.14788
SMILES: C1=CC2=CNC=C2C=C1
Structure:
CAS RN: 148-94-7
CAS Name: 3-methoxy-N,N-dimethyl-4-phenyldiazenylaniline
OPENEYE Name: 3-methoxy-N,N-dimethyl-4-phenylazo-aniline
IUPAC Name: 3-methoxy-N,N-dimethyl-4-phenyldiazenylaniline
SYSTEMATIC NAME: 3-methoxy-N,N-dimethyl-4-phenyldiazenyl-aniline
MOLECULAR FORMULA: C15H17N3O
MOLECULAR WEIGHT: 255.31498
SMILES: CN(C)C1=CC(=C(C=C1)N=NC2=CC=CC=C2)OC
Structure:
CAS RN: 148-04-9
CAS Name: tetrasodium benzene-1,2,4,5-tetracarboxylate
OPENEYE Name: tetrasodium benzene-1,2,4,5-tetracarboxylate
IUPAC Name: tetrasodium benzene-1,2,4,5-tetracarboxylate
SYSTEMATIC NAME: tetrasodium benzene-1,2,4,5-tetracarboxylate
MOLECULAR FORMULA: C10H2Na4O8
MOLECULAR WEIGHT: 342.07716
SMILES: C1=C(C(=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 220402-83-5
CAS Name: (4R)-2-(3-methoxyphenyl)-4-(methylamino)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
OPENEYE Name: (4R)-2-(3-methoxyphenyl)-4-(methylamino)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
IUPAC Name: (4R)-2-(3-methoxyphenyl)-4-(methylamino)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SYSTEMATIC NAME: (4R)-2-(3-methoxyphenyl)-4-(methylamino)-1,1-bis(oxidanylidene)-3,4-dihydrothieno[3,2-e][1,2]thiazine-6-sulfonamide
MOLECULAR FORMULA: C14H17N3O5S3
MOLECULAR WEIGHT: 403.49688
SMILES: CN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C3=CC(=CC=C3)OC
Structure:
CAS RN: 88515-58-6
CAS Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
OPENEYE Name: [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
IUPAC Name: [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
SYSTEMATIC NAME: [(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-1,10,11-tris(oxidanyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
MOLECULAR FORMULA: C36H58O10
MOLECULAR WEIGHT: 650.83972
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
Structure:
CAS RN: 80498-15-3
CAS Name: (2S)-1-[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-carboxy-1-oxopropyl]amino]-3-carboxy-1-oxopropyl]amino]-3-carboxy-1-oxopropyl]amino]-1-oxopropyl]amino]
OPENEYE Name: (2S)-1-[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-butanoyl]amino]-3-carboxy-propanoyl]amino]-3-carboxy-propanoyl]amino]-3-carboxy-propanoyl]amino]propanoyl]amino]-4-carboxy-but
IUPAC Name: (2S)-1-[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl
SYSTEMATIC NAME: (2S)-1-[(2S,3S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanyli
MOLECULAR FORMULA: C44H69N11O20
MOLECULAR WEIGHT: 1072.08036
SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)N
Structure:
CAS RN: 129243-06-7
CAS Name: N-butylcarbamic acid [1,4-bis[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-piperazinyl]methyl ester
OPENEYE Name: [1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-butylcarbamate
IUPAC Name: [1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-butylcarbamate
SYSTEMATIC NAME: [1,4-bis[(3,4,5-trimethoxyphenyl)carbonyl]piperazin-2-yl]methyl N-butylcarbamate
MOLECULAR FORMULA: C30H41N3O10
MOLECULAR WEIGHT: 603.66064
SMILES: CCCCNC(=O)OCC1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
Structure:
CAS RN: 69230-87-1
CAS Name: 1-pyrrolidinylcarbamodithioic acid
OPENEYE Name: pyrrolidin-1-ylcarbamodithioic acid
IUPAC Name: pyrrolidin-1-ylcarbamodithioic acid
SYSTEMATIC NAME: pyrrolidin-1-ylcarbamodithioic acid
MOLECULAR FORMULA: C5H10N2S2
MOLECULAR WEIGHT: 162.2763
SMILES: C1CCN(C1)NC(=S)S
Structure:
CAS RN: 84044-35-9
CAS Name: 6-fluoro-2,3-dimethyl-4-oxidoquinoxalin-1-ium 1-oxide
OPENEYE Name: 6-fluoro-2,3-dimethyl-4-oxido-quinoxalin-1-ium 1-oxide
IUPAC Name: 6-fluoro-2,3-dimethyl-4-oxidoquinoxalin-1-ium 1-oxide
SYSTEMATIC NAME: 6-fluoranyl-2,3-dimethyl-4-oxidanidyl-quinoxalin-1-ium 1-oxide
MOLECULAR FORMULA: C10H9FN2O2
MOLECULAR WEIGHT: 208.189063
SMILES: CC1=C([N+](=O)C2=C(N1[O-])C=C(C=C2)F)C
Structure:
CAS RN: 111393-94-3
CAS Name: 2-(1,3,4-thiadiazol-2-yl)guanidine
OPENEYE Name: 2-(1,3,4-thiadiazol-2-yl)guanidine
IUPAC Name: 2-(1,3,4-thiadiazol-2-yl)guanidine
SYSTEMATIC NAME: 2-(1,3,4-thiadiazol-2-yl)guanidine
MOLECULAR FORMULA: C3H5N5S
MOLECULAR WEIGHT: 143.1703
SMILES: C1=NN=C(S1)N=C(N)N
Structure:
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