CAS RN: 13695-04-0
CAS Name: (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid (2,3,4,5,6-pentamethylphenyl)methyl ester
OPENEYE Name: (2,3,4,5,6-pentamethylphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
IUPAC Name: (2,3,4,5,6-pentamethylphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: (2,3,4,5,6-pentamethylphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C22H32O2
MOLECULAR WEIGHT: 328.48828
SMILES: CC1=C(C(=C(C(=C1C)C)COC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C)C
CAS RN: 84852-07-3
CAS Name: 2-ethyl-1-hexanol; hexanedioic acid; 3-methoxy-1-propanol; phthalic acid
OPENEYE Name: adipic acid; 2-ethylhexan-1-ol; 3-methoxypropan-1-ol; phthalic acid
IUPAC Name: 2-ethylhexan-1-ol; hexanedioic acid; 3-methoxypropan-1-ol; phthalic acid
SYSTEMATIC NAME: 2-ethylhexan-1-ol; hexanedioic acid; 3-methoxypropan-1-ol; phthalic acid
MOLECULAR FORMULA: C26H44O11
MOLECULAR WEIGHT: 532.62096
SMILES: CCCCC(CC)CO.COCCCO.C1=CC=C(C(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O
CAS RN: 93892-26-3
CAS Name: trisodium (3Z)-5-amino-3-[(2-hydroxy-3-nitro-5-sulfonatophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
OPENEYE Name: trisodium (3Z)-5-amino-3-[(2-hydroxy-3-nitro-5-sulfonato-phenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate
IUPAC Name: trisodium (3Z)-5-amino-3-[(2-hydroxy-3-nitro-5-sulfonatophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
SYSTEMATIC NAME: trisodium (3Z)-5-azanyl-3-[(3-nitro-2-oxidanyl-5-sulfonato-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C16H9N4Na3O13S3
MOLECULAR WEIGHT: 630.42597
SMILES: C1=C2C=C(/C(=N\NC3=CC(=CC(=C3O)[N+](=O)[O-])S(=O)(=O)[O-])/C(=O)C2=C(C=C1S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
CAS RN: 93803-76-0
CAS Name: 7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione; (2S)-5-oxo-2-pyrrolidinecarboxylic acid
OPENEYE Name: 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione; (2S)-5-oxopyrrolidine-2-carboxylic acid
IUPAC Name: 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione; (2S)-5-oxopyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C25H34N6O6
MOLECULAR WEIGHT: 514.57406
SMILES: CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO.C1CC(=O)N[C@@H]1C(=O)O
CAS RN: 93918-50-4
CAS Name: N-[2-[2-[2-(1-oxotetradecylamino)ethylamino]ethylamino]ethyl]tetradecanamide
OPENEYE Name: N-[2-[2-[2-(tetradecanoylamino)ethylamino]ethylamino]ethyl]tetradecanamide
IUPAC Name: N-[2-[2-[2-(tetradecanoylamino)ethylamino]ethylamino]ethyl]tetradecanamide
SYSTEMATIC NAME: N-[2-[2-[2-(tetradecanoylamino)ethylamino]ethylamino]ethyl]tetradecanamide
MOLECULAR FORMULA: C34H70N4O2
MOLECULAR WEIGHT: 566.9452
SMILES: CCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCC
CAS RN: 20271-40-3
CAS Name: sodium 5-chloro-N-[2-[4-[[(cyclohexylamino)-oxomethyl]sulfamoyl]phenyl]ethyl]-2-methoxybenzamide
OPENEYE Name: sodium 5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-benzamide
IUPAC Name: sodium 5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
SYSTEMATIC NAME: sodium 5-chloranyl-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-benzamide
MOLECULAR FORMULA: C23H28ClN3NaO5S+
MOLECULAR WEIGHT: 516.99329
SMILES: COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3.[Na+]
CAS RN: 85391-18-0
CAS Name: calcium (2R)-2-hydroxy-3-phenylpropanoate
OPENEYE Name: calcium (2R)-2-hydroxy-3-phenyl-propanoate
IUPAC Name: calcium (2R)-2-hydroxy-3-phenylpropanoate
SYSTEMATIC NAME: calcium (2R)-2-oxidanyl-3-phenyl-propanoate
MOLECULAR FORMULA: C18H18CaO6
MOLECULAR WEIGHT: 370.40992
SMILES: C1=CC=C(C=C1)C[C@H](C(=O)[O-])O.C1=CC=C(C=C1)C[C@H](C(=O)[O-])O.[Ca+2]
CAS RN: 94031-12-6
CAS Name: 6,11-dioxo-1,2-dihydronaphtho[2,3-e]benzotriazole-3-sulfonic acid
OPENEYE Name: 6,11-dioxo-1,2-dihydronaphtho[2,3-e]benzotriazole-3-sulfonic acid
IUPAC Name: 6,11-dioxo-1,2-dihydronaphtho[2,3-e]benzotriazole-3-sulfonic acid
SYSTEMATIC NAME: 6,11-bis(oxidanylidene)-1,2-dihydronaphtho[2,3-e]benzotriazole-3-sulfonic acid
MOLECULAR FORMULA: C14H9N3O5S
MOLECULAR WEIGHT: 331.30336
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)N(NN4)S(=O)(=O)O
CAS RN: 93918-81-1
CAS Name: ethyl-[2-(2-ethylhexoxy)-2-oxoethyl]-(3-oxo-3-tetradecoxypropyl)sulfonium tetrafluoroborate
OPENEYE Name: ethyl-[2-(2-ethylhexoxy)-2-oxo-ethyl]-(3-oxo-3-tetradecoxy-propyl)sulfonium tetrafluoroborate
IUPAC Name: ethyl-[2-(2-ethylhexoxy)-2-oxoethyl]-(3-oxo-3-tetradecoxypropyl)sulfanium tetrafluoroborate
SYSTEMATIC NAME: ethyl-[2-(2-ethylhexoxy)-2-oxidanylidene-ethyl]-(3-oxidanylidene-3-tetradecoxy-propyl)sulfanium tetrafluoroborate
MOLECULAR FORMULA: C29H57BF4O4S
MOLECULAR WEIGHT: 588.630093
SMILES: [B-](F)(F)(F)F.CCCCCCCCCCCCCCOC(=O)CC[S+](CC)CC(=O)OCC(CC)CCCC
CAS RN: 80634-45-3
CAS Name: boric acid; 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
OPENEYE Name: boric acid; 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
IUPAC Name: boric acid; 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SYSTEMATIC NAME: boric acid; 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
MOLECULAR FORMULA: C22H45BN2O4
MOLECULAR WEIGHT: 412.4147
SMILES: B(O)(O)O.CCCCCCCCCCCCCCC/C=C/C1=NCCN1CCO
CAS RN: 80484-34-0
CAS Name: 1,3-bis(1-methyl-2-pyrrolidinyl)-2-propanone; 2,4,6-trinitrophenol
OPENEYE Name: 1,3-bis(1-methylpyrrolidin-2-yl)propan-2-one; picric acid
IUPAC Name: 1,3-bis(1-methylpyrrolidin-2-yl)propan-2-one; 2,4,6-trinitrophenol
SYSTEMATIC NAME: 1,3-bis(1-methylpyrrolidin-2-yl)propan-2-one; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C25H30N8O15
MOLECULAR WEIGHT: 682.5503
SMILES: CN1CCCC1CC(=O)CC2CCCN2C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
CAS RN: 83863-71-2
CAS Name: (3S,4R)-4-amino-3-methoxy-1-piperidinecarboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl (3S,4R)-4-amino-3-methoxy-piperidine-1-carboxylate hydrochloride
IUPAC Name: ethyl (3S,4R)-4-amino-3-methoxypiperidine-1-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl (3S,4R)-4-azanyl-3-methoxy-piperidine-1-carboxylate hydrochloride
MOLECULAR FORMULA: C9H19ClN2O3
MOLECULAR WEIGHT: 238.71176
SMILES: CCOC(=O)N1CC[C@H]([C@H](C1)OC)N.Cl
CAS RN: 73215-38-0
CAS Name: [4-[(4-diethyliminio-1-cyclohexa-2,5-dienylidene)-[4-[ethyl-[phenyl(sulfonato)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]-phenylmethanesulfonate
OPENEYE Name: [4-[(4-diethyliminiocyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[phenyl(sulfonato)methyl]amino]-2-methyl-phenyl]methyl]-N-ethyl-3-methyl-anilino]-phenyl-methanesulfonate
IUPAC Name: [4-[(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[phenyl(sulfonato)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]-phenylmethanesulfonate
SYSTEMATIC NAME: [[4-[(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[phenyl(sulfonato)methyl]amino]-2-methyl-phenyl]methyl]-3-methyl-phenyl]-ethyl-amino]-phenyl-methanesulfonate
MOLECULAR FORMULA: C43H48N3O6S2-
MOLECULAR WEIGHT: 766.98772
SMILES: CCN(C1=CC(=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)N(CC)C(C4=CC=CC=C4)S(=O)(=O)[O-])C)C)C(C5=CC=CC=C5)S(=O)(=O)[O-]
CAS RN: 70281-35-5
CAS Name: (2S,3S,4R,5R)-6-hydroxy-2,3,4,5-tetrakis[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexanal
OPENEYE Name: (2S,3S,4R,5R)-6-hydroxy-2,3,4,5-tetrakis[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]hexanal
IUPAC Name: (2S,3S,4R,5R)-6-hydroxy-2,3,4,5-tetrakis[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexanal
SYSTEMATIC NAME: (2S,3S,4R,5R)-2,3,4,5-tetrakis[[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-6-oxidanyl-hexanal
MOLECULAR FORMULA: C30H52O26
MOLECULAR WEIGHT: 828.71828
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@H](CO)[C@H]([C@@H]([C@@H](C=O)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O
CAS RN: 149825-34-3
CAS Name: 3-[3-acetyl-4-[3-[tert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)amino]-2-hydroxypropoxy]phenyl]-1,1-diethylurea hydroiodide
OPENEYE Name: 3-[3-acetyl-4-[3-[tert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)amino]-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea hydroiodide
IUPAC Name: 3-[3-acetyl-4-[3-[tert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)amino]-2-hydroxypropoxy]phenyl]-1,1-diethylurea hydroiodide
SYSTEMATIC NAME: 3-[4-[3-[tert-butyl-[1,1,2,2,3,3,3-heptakis(fluoranyl)propyl]amino]-2-oxidanyl-propoxy]-3-ethanoyl-phenyl]-1,1-diethyl-urea hydroiodide
MOLECULAR FORMULA: C23H33F7IN3O4
MOLECULAR WEIGHT: 675.419112
SMILES: CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CN(C(C)(C)C)C(C(C(F)(F)F)(F)F)(F)F)O)C(=O)C.I
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