CAS RN: 87549-66-4
CAS Name: N4-ethyl-N4-(2-methoxyethyl)-2-methylbenzene-1,4-diamine; 4-methylbenzenesulfonate
OPENEYE Name: N4-ethyl-N4-(2-methoxyethyl)-2-methyl-benzene-1,4-diamine; 4-methylbenzenesulfonate
IUPAC Name: 4-N-ethyl-4-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine; 4-methylbenzenesulfonate
SYSTEMATIC NAME: N4-ethyl-N4-(2-methoxyethyl)-2-methyl-benzene-1,4-diamine; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C19H27N2O4S-
MOLECULAR WEIGHT: 379.49368
SMILES: CCN(CCOC)C1=CC(=C(C=C1)N)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 87549-39-1
CAS Name: sulfuric acid [9-chloro-8-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] ester
OPENEYE Name: [9-chloro-8-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] hydrogen sulfate
IUPAC Name: [9-chloro-8-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] hydrogen sulfate
SYSTEMATIC NAME: [9-chloranyl-5-(4-hydroxyphenyl)-8-oxidanyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] hydrogen sulfate
MOLECULAR FORMULA: C16H16ClNO6S
MOLECULAR WEIGHT: 385.81934
SMILES: C1CNCC(C2=CC(=C(C(=C21)Cl)O)OS(=O)(=O)O)C3=CC=C(C=C3)O
Structure:
CAS RN: 87549-54-0
CAS Name: sulfuric acid [9-chloro-8-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] ester
OPENEYE Name: [9-chloro-8-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] hydrogen sulfate
IUPAC Name: [9-chloro-8-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] hydrogen sulfate
SYSTEMATIC NAME: [9-chloranyl-5-(4-hydroxyphenyl)-8-oxidanyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] hydrogen sulfate
MOLECULAR FORMULA: C16H16ClNO6S
MOLECULAR WEIGHT: 385.81934
SMILES: C1CNCC(C2=CC(=C(C(=C21)Cl)O)OS(=O)(=O)O)C3=CC=C(C=C3)O
Structure:
CAS RN: 87539-07-9
CAS Name: 4-ethyl-4-methyl-3-oxohexanenitrile
OPENEYE Name: 4-ethyl-4-methyl-3-oxo-hexanenitrile
IUPAC Name: 4-ethyl-4-methyl-3-oxohexanenitrile
SYSTEMATIC NAME: 4-ethyl-4-methyl-3-oxidanylidene-hexanenitrile
MOLECULAR FORMULA: C9H15NO
MOLECULAR WEIGHT: 153.2215
SMILES: CCC(C)(CC)C(=O)CC#N
Structure:
CAS RN: 87517-97-3
CAS Name: 1-methyl-9-nitrophenanthrene
OPENEYE Name: 1-methyl-9-nitro-phenanthrene
IUPAC Name: 1-methyl-9-nitrophenanthrene
SYSTEMATIC NAME: 1-methyl-9-nitro-phenanthrene
MOLECULAR FORMULA: C15H11NO2
MOLECULAR WEIGHT: 237.25334
SMILES: CC1=CC=CC2=C1C=C(C3=CC=CC=C23)[N+](=O)[O-]
Structure:
CAS RN: 87474-72-4
CAS Name: 1-[4-(difluoromethoxy)-6-methyl-2-pyrimidinyl]-3-(2-nitrophenyl)sulfonylurea
OPENEYE Name: 1-[4-(difluoromethoxy)-6-methyl-pyrimidin-2-yl]-3-(2-nitrophenyl)sulfonyl-urea
IUPAC Name: 1-[4-(difluoromethoxy)-6-methylpyrimidin-2-yl]-3-(2-nitrophenyl)sulfonylurea
SYSTEMATIC NAME: 1-[4-[bis(fluoranyl)methoxy]-6-methyl-pyrimidin-2-yl]-3-(2-nitrophenyl)sulfonyl-urea
MOLECULAR FORMULA: C13H11F2N5O6S
MOLECULAR WEIGHT: 403.318146
SMILES: CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OC(F)F
Structure:
CAS RN: 87474-61-1
CAS Name: 2-[[[[4-(difluoromethoxy)-6-methyl-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester
OPENEYE Name: methyl 2-[[4-(difluoromethoxy)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoate
IUPAC Name: methyl 2-[[4-(difluoromethoxy)-6-methylpyrimidin-2-yl]carbamoylsulfamoyl]benzoate
SYSTEMATIC NAME: methyl 2-[[4-[bis(fluoranyl)methoxy]-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoate
MOLECULAR FORMULA: C15H14F2N4O6S
MOLECULAR WEIGHT: 416.356666
SMILES: CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)OC(F)F
Structure:
CAS RN: 87458-73-9
CAS Name: 2-decylbutanediperoxoic acid
OPENEYE Name: 2-decylbutanediperoxoic acid
IUPAC Name: 2-decylbutanediperoxoic acid
SYSTEMATIC NAME: 2-decylbutanediperoxoic acid
MOLECULAR FORMULA: C14H26O6
MOLECULAR WEIGHT: 290.35264
SMILES: CCCCCCCCCCC(CC(=O)OO)C(=O)OO
Structure:
CAS RN: 87458-70-6
CAS Name: 2-dodecylbutanediperoxoic acid
OPENEYE Name: 2-dodecylbutanediperoxoic acid
IUPAC Name: 2-dodecylbutanediperoxoic acid
SYSTEMATIC NAME: 2-dodecylbutanediperoxoic acid
MOLECULAR FORMULA: C16H30O6
MOLECULAR WEIGHT: 318.4058
SMILES: CCCCCCCCCCCCC(CC(=O)OO)C(=O)OO
Structure:
CAS RN: 87441-78-9
CAS Name: (2S)-2-methylbutanoic acid [(1R,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethyl-2-spiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]yl] ester
OPENEYE Name: [(1R,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetoxy-8a-(acetoxymethyl)-3-hydroxy-5,6-dimethyl-spiro[decalin-1,2'-oxirane]-2-yl] (2S)-2-methylbutanoate
IUPAC Name: [(1R,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2S)-2-methylbutanoate
SYSTEMATIC NAME: [(1R,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-5,6-dimethyl-3-oxidanyl-spiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2S)-2-methylbutanoate
MOLECULAR FORMULA: C29H42O10
MOLECULAR WEIGHT: 550.63778
SMILES: CC[C@H](C)C(=O)OC1[C@@H](C[C@@H]2[C@@]([C@@H](C[C@@H]([C@]2([C@@]13CO3)COC(=O)C)OC(=O)C)C)(C)C4C[C@H]5C=CO[C@H]5O4)O
Structure:
CAS RN: 87427-39-2
CAS Name: 2-(3-iodoprop-2-ynyl)tetrazole
OPENEYE Name: 2-(3-iodoprop-2-ynyl)tetrazole
IUPAC Name: 2-(3-iodoprop-2-ynyl)tetrazole
SYSTEMATIC NAME: 2-(3-iodanylprop-2-ynyl)-1,2,3,4-tetrazole
MOLECULAR FORMULA: C4H3IN4
MOLECULAR WEIGHT: 233.99789
SMILES: C1=NN(N=N1)CC#CI
Structure:
CAS RN: 87420-14-2
CAS Name: (1S,4S,4aS,8aS)-1,4-dihydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarboxaldehyde
OPENEYE Name: (1S,4S,4aS,8aS)-1,4-dihydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde
IUPAC Name: (1S,4S,4aS,8aS)-1,4-dihydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde
SYSTEMATIC NAME: (1S,4S,4aS,8aS)-5,5,8a-trimethyl-1,4-bis(oxidanyl)-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde
MOLECULAR FORMULA: C15H22O4
MOLECULAR WEIGHT: 266.33278
SMILES: C[C@]12CCCC([C@@H]1[C@H](C=C([C@@]2(C=O)O)C=O)O)(C)C
Structure:
CAS RN: 87413-09-0
CAS Name: acetic acid (1,1-diacetyloxy-3-oxo-1$l^{5},2-benziodoxol-1-yl) ester
OPENEYE Name: (1,1-diacetoxy-3-oxo-1$l^{5},2-benziodoxol-1-yl) acetate
IUPAC Name: (1,1-diacetyloxy-3-oxo-1$l^{5},2-benziodoxol-1-yl) acetate
SYSTEMATIC NAME: (1,1-diacetyloxy-3-oxidanylidene-1$l^{5},2-benziodoxol-1-yl) ethanoate
MOLECULAR FORMULA: C13H13IO8
MOLECULAR WEIGHT: 424.14199
SMILES: CC(=O)OI1(C2=CC=CC=C2C(=O)O1)(OC(=O)C)OC(=O)C
Structure:
CAS RN: 87402-66-2
CAS Name: 6-bromo-3-[(3-bromo-4-hydroxyphenyl)methyl]-4-(hydroxymethyl)benzene-1,2-diol
OPENEYE Name: 6-bromo-3-[(3-bromo-4-hydroxy-phenyl)methyl]-4-(hydroxymethyl)benzene-1,2-diol
IUPAC Name: 6-bromo-3-[(3-bromo-4-hydroxyphenyl)methyl]-4-(hydroxymethyl)benzene-1,2-diol
SYSTEMATIC NAME: 6-bromanyl-3-[(3-bromanyl-4-oxidanyl-phenyl)methyl]-4-(hydroxymethyl)benzene-1,2-diol
MOLECULAR FORMULA: C14H12Br2O4
MOLECULAR WEIGHT: 404.05068
SMILES: C1=CC(=C(C=C1CC2=C(C(=C(C=C2CO)Br)O)O)Br)O
Structure:
CAS RN: 87396-30-3
CAS Name: acetic acid [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(7R,9R,10R,13R,14S,16R,17R)-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanth
OPENEYE Name: [(2R,3S,4S,5R,6R)-6-[[(7R,9R,10R,13R,14S,16R,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-7-methoxy-4,4,9,13,14-pentamethyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-3,4,5
IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(7R,9R,10R,13R,14S,16R,17R)-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]
SYSTEMATIC NAME: [(2R,3S,4S,5R,6R)-6-[[(7R,9R,10R,13R,14S,16R,17R)-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-tris(o
MOLECULAR FORMULA: C44H72O13
MOLECULAR WEIGHT: 809.03468
SMILES: C[C@H](CCC=C(C)C)[C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]3(C2[C@@H](C=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)OC)C)C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)O)O)O
Structure:
CAS RN: 87397-18-0
CAS Name: acetic acid [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(7R,9R,10R,13R,14S,16R,17R)-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanth
OPENEYE Name: [(2R,3S,4S,5R,6R)-6-[[(7R,9R,10R,13R,14S,16R,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-7-methoxy-4,4,9,13,14-pentamethyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-3,4,5
IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(7R,9R,10R,13R,14S,16R,17R)-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]
SYSTEMATIC NAME: [(2R,3S,4S,5R,6R)-6-[[(7R,9R,10R,13R,14S,16R,17R)-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-tris(o
MOLECULAR FORMULA: C44H72O13
MOLECULAR WEIGHT: 809.03468
SMILES: C[C@H](CCC=C(C)C)[C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]3(C2[C@@H](C=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)OC)C)C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)O)O)O
Structure:
CAS RN: 87387-68-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H22N2O4
MOLECULAR WEIGHT: 366.41038
SMILES: COC(=O)C1CC23CCC14C5(C2N(CC5)C(=O)C6C3O6)C7=CC=CC=C7N4
Structure:
CAS RN: 87387-67-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: COC(=O)C1CC23C(CC14C5(C2N(CC5)CC6C3O6)C7=CC=CC=C7N4)O
Structure:
CAS RN: 87387-66-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N2O3
MOLECULAR WEIGHT: 352.42686
SMILES: COC(=O)C1CC23C=CCN4C2C5(C1(CC3O)NC6=CC=CC=C65)CC4
Structure:
CAS RN: 124817-37-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22O6
MOLECULAR WEIGHT: 358.38508
SMILES: CC1CC2C3(C(C14CC(OC4=O)C5=COC=C5)CCC=C3C(=O)O2)CO
Structure:
CAS RN: 87376-66-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22O6
MOLECULAR WEIGHT: 358.38508
SMILES: CC1CC2C3(C(C14CC(OC4=O)C5=COC=C5)CCC=C3C(=O)O2)CO
Structure:
CAS RN: 87374-78-5
CAS Name: 1-piperidinecarboxylic acid (2,4-dichloro-5-prop-2-ynoxyphenyl) ester
OPENEYE Name: (2,4-dichloro-5-prop-2-ynoxy-phenyl) piperidine-1-carboxylate
IUPAC Name: (2,4-dichloro-5-prop-2-ynoxyphenyl) piperidine-1-carboxylate
SYSTEMATIC NAME: [2,4-bis(chloranyl)-5-prop-2-ynoxy-phenyl] piperidine-1-carboxylate
MOLECULAR FORMULA: C15H15Cl2NO3
MOLECULAR WEIGHT: 328.1905
SMILES: C#CCOC1=C(C=C(C(=C1)OC(=O)N2CCCCC2)Cl)Cl
Structure:
CAS RN: 87367-18-8
CAS Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(1-thiiran-1-iumyl)propan-2-yl]amino]-5-oxopentanoic acid bromide
OPENEYE Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-2-oxo-1-(thiiran-1-ium-1-ylmethyl)ethyl]amino]-5-oxo-pentanoic acid bromide
IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(thiiran-1-ium-1-yl)propan-2-yl]amino]-5-oxopentanoic acid bromide
SYSTEMATIC NAME: (2S)-2-azanyl-5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-(thiiran-1-ium-1-yl)propan-2-yl]amino]-5-oxidanylidene-pentanoic acid bromide
MOLECULAR FORMULA: C12H20BrN3O6S
MOLECULAR WEIGHT: 414.2727
SMILES: C1C[S+]1C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N.[Br-]
Structure:
CAS RN: 87365-63-7
CAS Name: 1-pyrrolidinecarboxylic acid (2,4-dichloro-5-prop-2-ynoxyphenyl) ester
OPENEYE Name: (2,4-dichloro-5-prop-2-ynoxy-phenyl) pyrrolidine-1-carboxylate
IUPAC Name: (2,4-dichloro-5-prop-2-ynoxyphenyl) pyrrolidine-1-carboxylate
SYSTEMATIC NAME: [2,4-bis(chloranyl)-5-prop-2-ynoxy-phenyl] pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C14H13Cl2NO3
MOLECULAR WEIGHT: 314.16392
SMILES: C#CCOC1=C(C=C(C(=C1)OC(=O)N2CCCC2)Cl)Cl
Structure:
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