CAS RN: 60593-34-2
CAS Name: (3aS,4R)-2,6-diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purine-10,10-diol
OPENEYE Name: (3aS,4R)-2,6-diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purine-10,10-diol
IUPAC Name: (3aS,4R)-2,6-diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purine-10,10-diol
SYSTEMATIC NAME: (3aS,4R)-2,6-bis(azanyl)-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purine-10,10-diol
MOLECULAR FORMULA: C9H16N6O3
MOLECULAR WEIGHT: 256.26174
SMILES: C1CN2C(=N[C@H]([C@H]3C2(C1(O)O)NC(=N3)N)CO)N
CAS RN: 5729-73-7
CAS Name: (2',7'-dibromo-3',6'-dihydroxy-3-oxo-1'-spiro[isobenzofuran-1,9'-xanthene]yl)mercury hydrate
OPENEYE Name: (2',7'-dibromo-3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-1'-yl)mercury hydrate
IUPAC Name: (2',7'-dibromo-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-1'-yl)mercury hydrate
SYSTEMATIC NAME: [2',7'-bis(bromanyl)-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-1'-yl]mercury hydrate
MOLECULAR FORMULA: C20H11Br2HgO6
MOLECULAR WEIGHT: 707.69574
SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C(=C35)[Hg])Br)O)O)Br.O
CAS RN: 5457-36-3
CAS Name: (3E,5E,7E,9E,11E,13E,16S,17S,18R,20R,22R,24S,26S,28R,30R,32R,35S,36S)-36-[(2S)-butan-2-yl]-16,18,20,22,24,26,28,30,32-nonahydroxy-17,35-dimethyl-1-oxacyclohexatriaconta-3,5,7,9,11,13,33-heptaen-2-one
OPENEYE Name: (3E,5E,7E,9E,11E,13E,16S,17S,18R,20R,22R,24S,26S,28R,30R,32R,35S,36S)-16,18,20,22,24,26,28,30,32-nonahydroxy-17,35-dimethyl-36-[(1S)-1-methylpropyl]-1-oxacyclohexatriaconta-3,5,7,9,11,13,33-heptaen-2-one
IUPAC Name: (3E,5E,7E,9E,11E,13E,16S,17S,18R,20R,22R,24S,26S,28R,30R,32R,35S,36S)-36-[(2S)-butan-2-yl]-16,18,20,22,24,26,28,30,32-nonahydroxy-17,35-dimethyl-1-oxacyclohexatriaconta-3,5,7,9,11,13,33-heptaen-2-one
SYSTEMATIC NAME: (3E,5E,7E,9E,11E,13E,16S,17S,18R,20R,22R,24S,26S,28R,30R,32R,35S,36S)-36-[(2S)-butan-2-yl]-17,35-dimethyl-16,18,20,22,24,26,28,30,32-nonakis(oxidanyl)-1-oxacyclohexatriaconta-3,5,7,9,11,13,33-heptaen-2-one
MOLECULAR FORMULA: C41H66O11
MOLECULAR WEIGHT: 734.95614
SMILES: CC[C@H](C)[C@H]1[C@H](C=C[C@@H](C[C@@H](C[C@@H](C[C@H](C[C@@H](C[C@H](C[C@H](C[C@H]([C@H]([C@H](C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)O1)O)C)O)O)O)O)O)O)O)O)C
CAS RN: 5410-99-1
CAS Name: (6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
OPENEYE Name: (6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
IUPAC Name: (6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SYSTEMATIC NAME: (6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
MOLECULAR FORMULA: C14H24O6
MOLECULAR WEIGHT: 288.33676
SMILES: CCO[C@H]1C(OC2C1OC(O2)(C)C)[C@H]3COC(O3)(C)C
CAS RN: 5345-69-7
CAS Name: 6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]one
OPENEYE Name: 6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one
IUPAC Name: 6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one
SYSTEMATIC NAME: 6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one
MOLECULAR FORMULA: C18H26O6
MOLECULAR WEIGHT: 338.39544
SMILES: C1CCC2(CC1)OC[C@@H](O2)C3C4C(C(=O)O3)OC5(O4)CCCCC5
CAS RN: 5296-29-7
CAS Name: (1R,2Z,4R)-4,7,7-trimethyl-2-(2,2,2-trifluoro-1-hydroxyethylidene)-3-bicyclo[2.2.1]heptanone
OPENEYE Name: (1R,3Z,4R)-1,7,7-trimethyl-3-(2,2,2-trifluoro-1-hydroxy-ethylidene)norbornan-2-one
IUPAC Name: (1R,2Z,4R)-4,7,7-trimethyl-2-(2,2,2-trifluoro-1-hydroxyethylidene)bicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: (1R,2Z,4R)-4,7,7-trimethyl-2-[2,2,2-tris(fluoranyl)-1-oxidanyl-ethylidene]bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C12H15F3O2
MOLECULAR WEIGHT: 248.24151
SMILES: C[C@@]12CC[C@H](C1(C)C)/C(=C(\C(F)(F)F)/O)/C2=O
CAS RN: 5077-59-8
CAS Name: acetic acid; 2-propoxyethylmercury
OPENEYE Name: acetic acid; 2-propoxyethylmercury
IUPAC Name: acetic acid; 2-propoxyethylmercury
SYSTEMATIC NAME: ethanoic acid; 2-propoxyethylmercury
MOLECULAR FORMULA: C7H15HgO3
MOLECULAR WEIGHT: 347.7822
SMILES: CCCOCC[Hg].CC(=O)O
CAS RN: 4072-13-3
CAS Name: 2-amino-3-methylbutanoic acid [6-amino-3-[4-hydroxy-5-(hydroxymethyl)-3,5-dihydro-2H-furan-2-yl]-2-oxo-4H-pyrimidin-1-yl] ester dihydrochloride
OPENEYE Name: [6-amino-3-[4-hydroxy-5-(hydroxymethyl)-3,5-dihydro-2H-furan-2-yl]-2-oxo-4H-pyrimidin-1-yl] 2-amino-3-methyl-butanoate dihydrochloride
IUPAC Name: [6-amino-3-[4-hydroxy-5-(hydroxymethyl)-3,5-dihydro-2H-furan-2-yl]-2-oxo-4H-pyrimidin-1-yl] 2-amino-3-methylbutanoate dihydrochloride
SYSTEMATIC NAME: [6-azanyl-3-[5-(hydroxymethyl)-4-oxidanyl-3,5-dihydro-2H-furan-2-yl]-2-oxidanylidene-4H-pyrimidin-1-yl] 2-azanyl-3-methyl-butanoate dihydrochloride
MOLECULAR FORMULA: C14H25Cl2N4O6
MOLECULAR WEIGHT: 416.2775
SMILES: CC(C)C(C(=O)ON1C(=CCN(C1=O)C2C[C](C(O2)CO)O)N)N.Cl.Cl
CAS RN: 3996-48-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC1(C2CC[C@@]13CC(=O)O[C@@H]3C2)C
CAS RN: 3618-04-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H48O4
MOLECULAR WEIGHT: 472.69972
SMILES: C[C@]12CCC34CC35CCC(=O)C(C5CC[C@H]4[C@@]1(C[C@@H](C2[C@@]6(CCC(O6)C(C)(C)O)C)O)C)(C)C
CAS RN: 3612-78-0
CAS Name: (10S,13R,14R,16S)-16-hydroxy-17-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyl-2-oxolanyl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (10S,13R,14R,16S)-16-hydroxy-17-[(2S)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (10S,13R,14R,16S)-16-hydroxy-17-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (10S,13R,14R,16S)-4,4,10,13,14-pentamethyl-17-[(2S)-2-methyl-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]-16-oxidanyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C30H48O4
MOLECULAR WEIGHT: 472.69972
SMILES: C[C@]12CCC(=O)C(C1CCC3=C2CC[C@]4([C@]3(C[C@@H](C4[C@@]5(CCC(O5)C(C)(C)O)C)O)C)C)(C)C
CAS RN: 35859-40-6
CAS Name: dibutyltin; 2-(6-methylheptylthio)acetic acid
OPENEYE Name: dibutyltin; 2-(6-methylheptylsulfanyl)acetic acid
IUPAC Name: dibutyltin; 2-(6-methylheptylsulfanyl)acetic acid
SYSTEMATIC NAME: dibutyltin; 2-(6-methylheptylsulfanyl)ethanoic acid
MOLECULAR FORMULA: C28H58O4S2Sn
MOLECULAR WEIGHT: 641.59772
SMILES: CCCC[Sn]CCCC.CC(C)CCCCCSCC(=O)O.CC(C)CCCCCSCC(=O)O
CAS RN: 34703-74-7
CAS Name: methanesulfonic acid [(2S)-3-[(2R,3S)-3-(methylsulfonyloxymethyl)-2-oxiranyl]-2-oxiranyl]methyl ester
OPENEYE Name: [(2S)-3-[(2R,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate
IUPAC Name: [(2S)-3-[(2R,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate
SYSTEMATIC NAME: [(2S)-3-[(2R,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate
MOLECULAR FORMULA: C8H14O8S2
MOLECULAR WEIGHT: 302.32196
SMILES: CS(=O)(=O)OC[C@H]1[C@@H](O1)C2[C@@H](O2)COS(=O)(=O)C
CAS RN: 3470-35-7
CAS Name: methanesulfonic acid [(2S)-3-[(2R,3S)-3-(methylsulfonyloxymethyl)-2-oxiranyl]-2-oxiranyl]methyl ester
OPENEYE Name: [(2S)-3-[(2R,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate
IUPAC Name: [(2S)-3-[(2R,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate
SYSTEMATIC NAME: [(2S)-3-[(2R,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate
MOLECULAR FORMULA: C8H14O8S2
MOLECULAR WEIGHT: 302.32196
SMILES: CS(=O)(=O)OC[C@H]1[C@@H](O1)C2[C@@H](O2)COS(=O)(=O)C
CAS RN: 33795-85-6
CAS Name: 3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-2-porphyrin-21,24-diidyl]propanoate; hydron; palladium(2+)
OPENEYE Name: 3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate; hydron; palladium(2+)
IUPAC Name: 3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate; hydron; palladium(2+)
SYSTEMATIC NAME: 3-[8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; palladium(2+)
MOLECULAR FORMULA: C34H36N4O6Pd
MOLECULAR WEIGHT: 703.09284
SMILES: [H+].[H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C(C)O)C)C(C)O)C)CCC(=O)[O-])CCC(=O)[O-].[Pd+2]
CAS RN: 31610-09-0
CAS Name: (2R)-2-(2-oxiranyl)oxirane
OPENEYE Name: (2R)-2-(oxiran-2-yl)oxirane
IUPAC Name: (2R)-2-(oxiran-2-yl)oxirane
SYSTEMATIC NAME: (2R)-2-(oxiran-2-yl)oxirane
MOLECULAR FORMULA: C4H6O2
MOLECULAR WEIGHT: 86.08924
SMILES: C1[C@@H](O1)C2CO2
CAS RN: 30885-63-3
CAS Name: (2S)-2-(2-oxiranyl)oxirane
OPENEYE Name: (2S)-2-(oxiran-2-yl)oxirane
IUPAC Name: (2S)-2-(oxiran-2-yl)oxirane
SYSTEMATIC NAME: (2S)-2-(oxiran-2-yl)oxirane
MOLECULAR FORMULA: C4H6O2
MOLECULAR WEIGHT: 86.08924
SMILES: C1[C@H](O1)C2CO2
CAS RN: 30866-57-0
CAS Name: 3'-$l^{1}-oxidanyl-4',4',10,13-tetramethyl-17-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxazolidine]ol
OPENEYE Name: 3'-$l^{1}-oxidanyl-4',4',10,13-tetramethyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxazolidine]-17-ol
IUPAC Name: 3'-$l^{1}-oxidanyl-4',4',10,13-tetramethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-oxazolidine]-17-ol
SYSTEMATIC NAME: 3'-$l^{1}-oxidanyl-4',4',10,13-tetramethyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-oxazolidine]-17-ol
MOLECULAR FORMULA: C23H38NO3
MOLECULAR WEIGHT: 376.55272
SMILES: CC1(COC2(N1[O])CCC3(C(C2)CCC4C3CCC5(C4CCC5O)C)C)C
CAS RN: 30002-85-8
CAS Name: (1S)-1-[(2R,5R)-5-hydroxy-4-[(3S,9R,10R,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxolanyl]-2-methylpropane-1,2-diol
OPENEYE Name: (1S)-1-[(2R,5R)-5-hydroxy-4-[(3S,9R,10R,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]tetrahydrofuran-2-yl]-2-methyl-propane-1,2-diol
IUPAC Name: (1S)-1-[(2R,5R)-5-hydroxy-4-[(3S,9R,10R,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-yl]-2-methylpropane-1,2-diol
SYSTEMATIC NAME: (1S)-2-methyl-1-[(2R,5R)-5-oxidanyl-4-[(3S,9R,10R,13S,14S,17R)-4,4,10,13,14-pentamethyl-3-oxidanyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-yl]propane-1,2-diol
MOLECULAR FORMULA: C30H50O5
MOLECULAR WEIGHT: 490.715
SMILES: C[C@@]12CC[C@H]3C(=CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)[C@]1(CC[C@@H]2C5C[C@@H](O[C@H]5O)[C@@H](C(C)(C)O)O)C
CAS RN: 2702-33-2
CAS Name: (4-methylphenyl)thallium; 2,2,2-trifluoroacetic acid
OPENEYE Name: p-tolylthallium; 2,2,2-trifluoroacetic acid
IUPAC Name: (4-methylphenyl)thallium; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: (4-methylphenyl)thallium; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C11H9F6O4Tl
MOLECULAR WEIGHT: 523.560479
SMILES: CC1=CC=C(C=C1)[Tl].C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
CAS RN: 25384-30-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H23ClN2O
MOLECULAR WEIGHT: 342.86242
SMILES: C/C=C/1\C[N+]2(CCC34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C=O)C.[Cl-]
CAS RN: 25286-67-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: C[C@H]1[C@@H]2CC/C(=C\CC[C@@]3([C@H]([C@H]2OC1=O)O3)C)/C
CAS RN: 23545-62-2
CAS Name: 3-methyl-1-[(1E,3E)-4-methyl-5-(3-methyl-1-piperidin-1-iumylidene)penta-1,3-dienyl]piperidine chloride
OPENEYE Name: 3-methyl-1-[(1E,3E)-4-methyl-5-(3-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine chloride
IUPAC Name: 3-methyl-1-[(1E,3E)-4-methyl-5-(3-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine chloride
SYSTEMATIC NAME: 3-methyl-1-[(1E,3E)-4-methyl-5-(3-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine chloride
MOLECULAR FORMULA: C18H31ClN2
MOLECULAR WEIGHT: 310.90514
SMILES: CC1CCCN(C1)/C=C/C=C(\C)/C=[N+]2CCCC(C2)C.[Cl-]
CAS RN: 21623-99-4
CAS Name: 15-hydroxy-13-methoxy-9-methyl-10-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-7,11-dione
OPENEYE Name: 15-hydroxy-13-methoxy-9-methyl-10-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-7,11-dione
IUPAC Name: 15-hydroxy-13-methoxy-9-methyl-10-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-7,11-dione
SYSTEMATIC NAME: 13-methoxy-9-methyl-15-oxidanyl-10-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-7,11-dione
MOLECULAR FORMULA: C17H22O5
MOLECULAR WEIGHT: 306.35358
SMILES: CC1CC(=O)CCCCCC2=CC(=CC(=C2C(=O)O1)OC)O
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