CAS RN: 29745-05-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H12FNO3
MOLECULAR WEIGHT: 261.248383
SMILES: C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)N(C3=O)C4=CC=CC=C4F
Structure:
CAS RN: 29732-48-7
CAS Name: (2S,3R,4R,5R,6S)-2-[[(2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]-6-methyloxane-3,4,5-triol chloride
OPENEYE Name: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol chloride
IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol chloride
SYSTEMATIC NAME: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-2-[5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromenylium-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol chloride
MOLECULAR FORMULA: C27H31ClO16
MOLECULAR WEIGHT: 646.97844
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC(=C(C(=C5)O)O)O)CO)O)O)O)O)O.[Cl-]
Structure:
CAS RN: 29728-68-5
CAS Name: 3-[4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-1-piperazinyl]-1-propanol dihydrochloride
OPENEYE Name: 3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol dihydrochloride
IUPAC Name: 3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol dihydrochloride
SYSTEMATIC NAME: 3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol dihydrochloride
MOLECULAR FORMULA: C22H30Cl2N2OS2
MOLECULAR WEIGHT: 473.5224
SMILES: CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO.Cl.Cl
Structure:
CAS RN: 29717-26-8
CAS Name: 3,3-bis(4-hydroxyphenyl)-4,5,6,7-tetraiodo-1-isobenzofuranone
OPENEYE Name: 3,3-bis(4-hydroxyphenyl)-4,5,6,7-tetraiodo-isobenzofuran-1-one
IUPAC Name: 3,3-bis(4-hydroxyphenyl)-4,5,6,7-tetraiodo-2-benzofuran-1-one
SYSTEMATIC NAME: 3,3-bis(4-hydroxyphenyl)-4,5,6,7-tetrakis(iodanyl)-2-benzofuran-1-one
MOLECULAR FORMULA: C20H10I4O4
MOLECULAR WEIGHT: 821.90888
SMILES: C1=CC(=CC=C1C2(C3=C(C(=C(C(=C3I)I)I)I)C(=O)O2)C4=CC=C(C=C4)O)O
Structure:
CAS RN: 29711-02-2
CAS Name: 3-hexylthiolane 1-oxide
OPENEYE Name: 3-hexylthiolane 1-oxide
IUPAC Name: 3-hexylthiolane 1-oxide
SYSTEMATIC NAME: 3-hexylthiolane 1-oxide
MOLECULAR FORMULA: C10H20OS
MOLECULAR WEIGHT: 188.3302
SMILES: CCCCCCC1CCS(=O)C1
Structure:
CAS RN: 29708-82-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H34O6
MOLECULAR WEIGHT: 370.48036
SMILES: C[C@]1(CC23C[C@@H]1CC[C@H]2[C@@]([C@@H]4C[C@@H](C([C@]4([C@@H]([C@H]3O)O)O)(C)C)O)(C)O)O
Structure:
CAS RN: 29708-80-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H32O7
MOLECULAR WEIGHT: 408.48528
SMILES: CC(=O)O[C@@H]1C(=O)C23C[C@H](CC[C@H]2[C@@]([C@H]4[C@]1(C([C@@H]5[C@H]4O5)(C)C)O)(C)O)[C@](C3)(C)O
Structure:
CAS RN: 29701-85-7
CAS Name: [octyl(phenyl)phosphoryl]benzene
OPENEYE Name: [octyl(phenyl)phosphoryl]benzene
IUPAC Name: [octyl(phenyl)phosphoryl]benzene
SYSTEMATIC NAME: [octyl(phenyl)phosphoryl]benzene
MOLECULAR FORMULA: C20H27OP
MOLECULAR WEIGHT: 314.401541
SMILES: CCCCCCCCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 29701-13-1
CAS Name: acetic acid [(2R,3R,4S,6S)-3-[[(2R,4S,5R,6R)-4-acetyloxy-5-[[(2R,4S,5R,6R)-4,5-diacetyloxy-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-6-[[(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,1
OPENEYE Name: [(2R,3R,4S,6S)-3-[(2R,4S,5R,6R)-4-acetoxy-5-[(2R,4S,5R,6R)-4,5-diacetoxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-[[(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,
IUPAC Name: [(2R,3R,4S,6S)-3-[(2R,4S,5R,6R)-4-acetyloxy-5-[(2R,4S,5R,6R)-4,5-diacetyloxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-[[(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahy
SYSTEMATIC NAME: [(2R,3R,4S,6S)-3-[(2R,4S,5R,6R)-4-acetyloxy-5-[(2R,4S,5R,6R)-4,5-diacetyloxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-[[(3S,5R,8R,9S,10S,12R,13S,17R)-10,13-dimethyl-12,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,1
MOLECULAR FORMULA: C49H72O18
MOLECULAR WEIGHT: 949.08518
SMILES: C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5(C4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)OC(=O)C)O[C@@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@@H]8C[C@@H]([C@@H]([C@H](O8)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 29689-00-7
CAS Name: diethoxy-(2-nitrophenoxy)-sulfanylidenephosphorane
OPENEYE Name: diethoxy-(2-nitrophenoxy)-thioxo-$l^{5}-phosphane
IUPAC Name: diethoxy-(2-nitrophenoxy)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: diethoxy-(2-nitrophenoxy)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C10H14NO5PS
MOLECULAR WEIGHT: 291.260621
SMILES: CCOP(=S)(OCC)OC1=CC=CC=C1[N+](=O)[O-]
Structure:
CAS RN: 29680-45-3
CAS Name: cyclohexylsulfamic acid; 1-(2-cyclopropylphenoxy)-3-(diethylamino)-2-propanol
OPENEYE Name: cyclohexylsulfamic acid; 1-(2-cyclopropylphenoxy)-3-(diethylamino)propan-2-ol
IUPAC Name: cyclohexylsulfamic acid; 1-(2-cyclopropylphenoxy)-3-(diethylamino)propan-2-ol
SYSTEMATIC NAME: cyclohexylsulfamic acid; 1-(2-cyclopropylphenoxy)-3-(diethylamino)propan-2-ol
MOLECULAR FORMULA: C22H38N2O5S
MOLECULAR WEIGHT: 442.61252
SMILES: CCN(CC)CC(COC1=CC=CC=C1C2CC2)O.C1CCC(CC1)NS(=O)(=O)O
Structure:
CAS RN: 29678-80-6
CAS Name: ethane-1,2-disulfonic acid; 5-methyl-4-propan-2-yl-1H-imidazole
OPENEYE Name: ethane-1,2-disulfonic acid; 4-isopropyl-5-methyl-1H-imidazole
IUPAC Name: ethane-1,2-disulfonic acid; 5-methyl-4-propan-2-yl-1H-imidazole
SYSTEMATIC NAME: ethane-1,2-disulfonic acid; 5-methyl-4-propan-2-yl-1H-imidazole
MOLECULAR FORMULA: C16H30N4O6S2
MOLECULAR WEIGHT: 438.5626
SMILES: CC1=C(N=CN1)C(C)C.CC1=C(N=CN1)C(C)C.C(CS(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 29676-50-4
CAS Name: ethyl-methyl-octadecylsulfonium iodide
OPENEYE Name: ethyl-methyl-octadecyl-sulfonium iodide
IUPAC Name: ethyl-methyl-octadecylsulfanium iodide
SYSTEMATIC NAME: ethyl-methyl-octadecyl-sulfanium iodide
MOLECULAR FORMULA: C21H45IS
MOLECULAR WEIGHT: 456.55147
SMILES: CCCCCCCCCCCCCCCCCC[S+](C)CC.[I-]
Structure:
CAS RN: 29670-64-2
CAS Name: N-(2-benzoylphenyl)benzamide
OPENEYE Name: N-(2-benzoylphenyl)benzamide
IUPAC Name: N-(2-benzoylphenyl)benzamide
SYSTEMATIC NAME: N-[2-(phenylcarbonyl)phenyl]benzamide
MOLECULAR FORMULA: C20H15NO2
MOLECULAR WEIGHT: 301.3386
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3
Structure:
CAS RN: 29670-17-5
CAS Name: 1-[(4-chlorophenyl)thio]-2-propanamine hydrochloride
OPENEYE Name: 1-(4-chlorophenyl)sulfanylpropan-2-amine hydrochloride
IUPAC Name: 1-(4-chlorophenyl)sulfanylpropan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfanylpropan-2-amine hydrochloride
MOLECULAR FORMULA: C9H13Cl2NS
MOLECULAR WEIGHT: 238.17722
SMILES: CC(CSC1=CC=C(C=C1)Cl)N.Cl
Structure:
CAS RN: 29650-20-2
CAS Name: 2-amino-6-prop-2-ynyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-amino-6-prop-2-ynyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
IUPAC Name: ethyl 2-amino-6-prop-2-ynyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 2-azanyl-6-prop-2-ynyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
MOLECULAR FORMULA: C13H17ClN2O2S
MOLECULAR WEIGHT: 300.80428
SMILES: CCOC(=O)C1=C(SC2=C1CCN(C2)CC#C)N.Cl
Structure:
CAS RN: 29650-19-9
CAS Name: 2-amino-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 6-allyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
IUPAC Name: ethyl 2-amino-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 2-azanyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
MOLECULAR FORMULA: C13H19ClN2O2S
MOLECULAR WEIGHT: 302.82016
SMILES: CCOC(=O)C1=C(SC2=C1CCN(C2)CC=C)N.Cl
Structure:
CAS RN: 29650-18-8
CAS Name: 2-amino-6-octyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-amino-6-octyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
IUPAC Name: ethyl 2-amino-6-octyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 2-azanyl-6-octyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
MOLECULAR FORMULA: C18H31ClN2O2S
MOLECULAR WEIGHT: 374.96894
SMILES: CCCCCCCCN1CCC2=C(C1)SC(=C2C(=O)OCC)N.Cl
Structure:
CAS RN: 29650-17-7
CAS Name: 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
IUPAC Name: ethyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 2-azanyl-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
MOLECULAR FORMULA: C14H23ClN2O2S
MOLECULAR WEIGHT: 318.86262
SMILES: CCCCN1CCC2=C(C1)SC(=C2C(=O)OCC)N.Cl
Structure:
CAS RN: 24237-39-6
CAS Name: 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
IUPAC Name: ethyl 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
MOLECULAR FORMULA: C11H16N2O2S
MOLECULAR WEIGHT: 240.32194
SMILES: CCOC(=O)C1=C(SC2=C1CCN(C2)C)N
Structure:
CAS RN: 29650-16-6
CAS Name: 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
IUPAC Name: ethyl 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 2-azanyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
MOLECULAR FORMULA: C11H17ClN2O2S
MOLECULAR WEIGHT: 276.78288
SMILES: CCOC(=O)C1=C(SC2=C1CCN(C2)C)N.Cl
Structure:
CAS RN: 29636-73-5
CAS Name: 1,3-bis(bromomethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 1,3-bis(bromomethyl)-5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 1,3-bis(bromomethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1,3-bis(bromomethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C14H14Br2N2O3
MOLECULAR WEIGHT: 418.08056
SMILES: CCC1(C(=O)N(C(=O)N(C1=O)CBr)CBr)C2=CC=CC=C2
Structure:
CAS RN: 5913-95-1
CAS Name: 2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
IUPAC Name: ethyl 2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
MOLECULAR FORMULA: C18H22N2O2S
MOLECULAR WEIGHT: 330.44448
SMILES: CCOC(=O)C1=C(SC2=C1CCN(C2)CCC3=CC=CC=C3)N
Structure:
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