CAS RN: 182300-97-6
CAS Name: aluminum magnesium pentahydroxide
OPENEYE Name: aluminum magnesium pentahydroxide
IUPAC Name: aluminum magnesium pentahydroxide
SYSTEMATIC NAME: aluminum magnesium pentahydroxide
MOLECULAR FORMULA: AlH5MgO5
MOLECULAR WEIGHT: 136.323238
SMILES: [OH-].[OH-].[OH-].[OH-].[OH-].[Mg+2].[Al+3]
Structure:
CAS RN: 183132-93-6
CAS Name: aluminum magnesium pentahydroxide
OPENEYE Name: aluminum magnesium pentahydroxide
IUPAC Name: aluminum magnesium pentahydroxide
SYSTEMATIC NAME: aluminum magnesium pentahydroxide
MOLECULAR FORMULA: AlH5MgO5
MOLECULAR WEIGHT: 136.323238
SMILES: [OH-].[OH-].[OH-].[OH-].[OH-].[Mg+2].[Al+3]
Structure:
CAS RN: 914477-36-4
CAS Name: aluminum magnesium pentahydroxide
OPENEYE Name: aluminum magnesium pentahydroxide
IUPAC Name: aluminum magnesium pentahydroxide
SYSTEMATIC NAME: aluminum magnesium pentahydroxide
MOLECULAR FORMULA: AlH5MgO5
MOLECULAR WEIGHT: 136.323238
SMILES: [OH-].[OH-].[OH-].[OH-].[OH-].[Mg+2].[Al+3]
Structure:
CAS RN: 39346-74-2
CAS Name: acetic acid; (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
OPENEYE Name: acetic acid; (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
IUPAC Name: acetic acid; (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
SYSTEMATIC NAME: ethanoic acid; (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
MOLECULAR FORMULA: C8H18O8
MOLECULAR WEIGHT: 242.22372
SMILES: CC(=O)O.C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O
Structure:
CAS RN: 227099-98-1
CAS Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; propane-1,3-diol
OPENEYE Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; propane-1,3-diol
IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; propane-1,3-diol
SYSTEMATIC NAME: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; propane-1,3-diol
MOLECULAR FORMULA: C15H26N2O4
MOLECULAR WEIGHT: 298.37794
SMILES: CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C(CO)CO
Structure:
CAS RN: 5153-73-1
CAS Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; propane-1,3-diol
OPENEYE Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; propane-1,3-diol
IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; propane-1,3-diol
SYSTEMATIC NAME: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; propane-1,3-diol
MOLECULAR FORMULA: C15H26N2O4
MOLECULAR WEIGHT: 298.37794
SMILES: CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C(CO)CO
Structure:
CAS RN: 39318-73-5
CAS Name: 4-(hydroxymethyl)-6-[[4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]cyclohexane-1,2,3,5-tetrol
OPENEYE Name: 4-(hydroxymethyl)-6-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexane-1,2,3,5-tetrol
IUPAC Name: 4-(hydroxymethyl)-6-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexane-1,2,3,5-tetrol
SYSTEMATIC NAME: 4-(hydroxymethyl)-6-[[3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]cyclohexane-1,2,3,5-tetrol
MOLECULAR FORMULA: C14H25NO9
MOLECULAR WEIGHT: 351.3496
SMILES: C1=C(C(C(C(C1NC2C(C(C(C(C2O)O)O)CO)O)O)O)O)CO
Structure:
CAS RN: 39222-73-6
CAS Name: 5-tert-butyl-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-tert-butyl-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-tert-butyl-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-tert-butyl-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C6H11N3S
MOLECULAR WEIGHT: 157.23664
SMILES: CC(C)(C)C1=NN=C(S1)N
Structure:
CAS RN: 39204-47-2
CAS Name: 2-(chloromethyl)pyrazine
OPENEYE Name: 2-(chloromethyl)pyrazine
IUPAC Name: 2-(chloromethyl)pyrazine
SYSTEMATIC NAME: 2-(chloromethyl)pyrazine
MOLECULAR FORMULA: C5H5ClN2
MOLECULAR WEIGHT: 128.5596
SMILES: C1=CN=C(C=N1)CCl
Structure:
CAS RN: 856611-53-5
CAS Name: 2-(chloromethyl)pyrazine
OPENEYE Name: 2-(chloromethyl)pyrazine
IUPAC Name: 2-(chloromethyl)pyrazine
SYSTEMATIC NAME: 2-(chloromethyl)pyrazine
MOLECULAR FORMULA: C5H5ClN2
MOLECULAR WEIGHT: 128.5596
SMILES: C1=CN=C(C=N1)CCl
Structure:
CAS RN: 39114-02-8
CAS Name: (2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-5-[[(2S,3R,4R,5S,6R)-3-acetamido-5-[[(2S,3S,4S,5R,6S)-4-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3-hydroxy-5-[[(2S,3S,4S,5S
OPENEYE Name: (2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6S)-4-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-hydroxy
IUPAC Name: (2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6S)-4-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[[(2S,3S,4S,5S,6R)-3
SYSTEMATIC NAME: (2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3S,4S,5R,6S)-4-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-[[(2
MOLECULAR FORMULA: C56H94N4O43
MOLECULAR WEIGHT: 1511.34656
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C[C@@H](C(=O)O)N)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)CO[C@@H]6[C@H]([C@H]([C@@H]
Structure:
CAS RN: 39106-10-0
CAS Name: 2-chloro-N-(2,4-dimethylphenyl)acetamide
OPENEYE Name: 2-chloro-N-(2,4-dimethylphenyl)acetamide
IUPAC Name: 2-chloro-N-(2,4-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(2,4-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C10H12ClNO
MOLECULAR WEIGHT: 197.66138
SMILES: CC1=CC(=C(C=C1)NC(=O)CCl)C
Structure:
CAS RN: 39089-30-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H35NO4
MOLECULAR WEIGHT: 377.5176
SMILES: CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)O)C
Structure:
CAS RN: 51072-36-7
CAS Name: 4-iodobenzoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-iodanylbenzoate
MOLECULAR FORMULA: C11H8INO4
MOLECULAR WEIGHT: 345.08999
SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)I
Structure:
CAS RN: 50768-79-1
CAS Name: 2-(methylamino)acetic acid [2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl] ester
OPENEYE Name: [2-[(2-aminoacetyl)amino]acetyl] 2-(methylamino)acetate
IUPAC Name: [2-[(2-aminoacetyl)amino]acetyl] 2-(methylamino)acetate
SYSTEMATIC NAME: 2-(2-azanylethanoylamino)ethanoyl 2-(methylamino)ethanoate
MOLECULAR FORMULA: C7H13N3O4
MOLECULAR WEIGHT: 203.19582
SMILES: CNCC(=O)OC(=O)CNC(=O)CN
Structure:
CAS RN: 38886-81-6
CAS Name: 2-amino-1,6-dimethyl-5-(1,2,3-trihydroxypropyl)-7,8-dihydro-6H-pteridin-4-one
OPENEYE Name: 2-amino-1,6-dimethyl-5-(1,2,3-trihydroxypropyl)-7,8-dihydro-6H-pteridin-4-one
IUPAC Name: 2-amino-1,6-dimethyl-5-(1,2,3-trihydroxypropyl)-7,8-dihydro-6H-pteridin-4-one
SYSTEMATIC NAME: 2-azanyl-1,6-dimethyl-5-[1,2,3-tris(oxidanyl)propyl]-7,8-dihydro-6H-pteridin-4-one
MOLECULAR FORMULA: C11H19N5O4
MOLECULAR WEIGHT: 285.29966
SMILES: CC1CNC2=C(N1C(C(CO)O)O)C(=O)N=C(N2C)N
Structure:
CAS RN: 38873-91-5
CAS Name: 1-nitro-4-[(4-nitrophenoxy)-phenylphosphoryl]oxybenzene
OPENEYE Name: 1-nitro-4-[(4-nitrophenoxy)-phenyl-phosphoryl]oxy-benzene
IUPAC Name: 1-nitro-4-[(4-nitrophenoxy)-phenylphosphoryl]oxybenzene
SYSTEMATIC NAME: 1-nitro-4-[(4-nitrophenoxy)-phenyl-phosphoryl]oxy-benzene
MOLECULAR FORMULA: C18H13N2O7P
MOLECULAR WEIGHT: 400.278781
SMILES: C1=CC=C(C=C1)P(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 5041-49-6
CAS Name: 2-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl-[3-(trimethylammonio)propyl]amino]acetate
OPENEYE Name: 2-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl-[3-(trimethylammonio)propyl]amino]acetate
IUPAC Name: 2-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl-[3-(trimethylazaniumyl)propyl]amino]acetate
SYSTEMATIC NAME: 2-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexylsulfonyl-[3-(trimethylazaniumyl)propyl]amino]ethanoate
MOLECULAR FORMULA: C14H17F13N2O4S
MOLECULAR WEIGHT: 556.340022
SMILES: C[N+](C)(C)CCCN(CC(=O)[O-])S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 50409-12-6
CAS Name: 2,6-bis(2-hydroxyethylamino)-4-methyl-3-pyridinecarbonitrile
OPENEYE Name: 2,6-bis(2-hydroxyethylamino)-4-methyl-pyridine-3-carbonitrile
IUPAC Name: 2,6-bis(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile
SYSTEMATIC NAME: 2,6-bis(2-hydroxyethylamino)-4-methyl-pyridine-3-carbonitrile
MOLECULAR FORMULA: C11H16N4O2
MOLECULAR WEIGHT: 236.27034
SMILES: CC1=CC(=NC(=C1C#N)NCCO)NCCO
Structure:
CAS RN: 146598-61-0
CAS Name: (2R,3R,4R,5R)-4-[[(2S,3R,4R,5S,6R)-5-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,3,5,6-tetrahydroxyhexanal
OPENEYE Name: (2R,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,5,6-t
IUPAC Name: (2R,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
SYSTEMATIC NAME: (2R,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexan
MOLECULAR FORMULA: C24H42O21
MOLECULAR WEIGHT: 666.57768
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)CO)O)O)O)O
Structure:
CAS RN: 2478-34-4
CAS Name: (2R,3R,4R,5R)-4-[[(2S,3R,4R,5S,6R)-5-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,3,5,6-tetrahydroxyhexanal
OPENEYE Name: (2R,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,5,6-t
IUPAC Name: (2R,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
SYSTEMATIC NAME: (2R,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexan
MOLECULAR FORMULA: C24H42O21
MOLECULAR WEIGHT: 666.57768
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)CO)O)O)O)O
Structure:
CAS RN: 5029-19-6
CAS Name: [(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-oxolanyl]methyl [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(3-imidazo[2,1-f]purinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphate
MOLECULAR FORMULA: C23H27N7O14P2
MOLECULAR WEIGHT: 687.446502
SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN6C5=NC=C6)O)O)O)O)C(=O)N
Structure:
CAS RN: 50280-70-1
CAS Name: (4aR,6R,7R,7aS)-2-hydroxy-6-(3-imidazo[2,1-f]purinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol
OPENEYE Name: (4aR,6R,7R,7aS)-2-hydroxy-6-imidazo[2,1-f]purin-3-yl-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
IUPAC Name: (4aR,6R,7R,7aS)-2-hydroxy-6-imidazo[2,1-f]purin-3-yl-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
SYSTEMATIC NAME: (4aR,6R,7R,7aS)-6-imidazo[2,1-f]purin-3-yl-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
MOLECULAR FORMULA: C12H12N5O6P
MOLECULAR WEIGHT: 353.227341
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN5C4=NC=C5)O)OP(=O)(O1)O
Structure:
CAS RN: 500579-52-2
CAS Name: 2-(propan-2-ylsulfamoylamino)benzoic acid
OPENEYE Name: 2-(isopropylsulfamoylamino)benzoic acid
IUPAC Name: 2-(propan-2-ylsulfamoylamino)benzoic acid
SYSTEMATIC NAME: 2-(propan-2-ylsulfamoylamino)benzoic acid
MOLECULAR FORMULA: C10H14N2O4S
MOLECULAR WEIGHT: 258.29416
SMILES: CC(C)NS(=O)(=O)NC1=CC=CC=C1C(=O)O
Structure:
CAS RN: 38707-70-9
CAS Name: 8-quinolinecarboxaldehyde
OPENEYE Name: quinoline-8-carbaldehyde
IUPAC Name: quinoline-8-carbaldehyde
SYSTEMATIC NAME: quinoline-8-carbaldehyde
MOLECULAR FORMULA: C10H7NO
MOLECULAR WEIGHT: 157.16868
SMILES: C1=CC2=C(C(=C1)C=O)N=CC=C2
Structure:
CAS RN: 4122-88-7
CAS Name: 8-quinolinecarboxaldehyde
OPENEYE Name: quinoline-8-carbaldehyde
IUPAC Name: quinoline-8-carbaldehyde
SYSTEMATIC NAME: quinoline-8-carbaldehyde
MOLECULAR FORMULA: C10H7NO
MOLECULAR WEIGHT: 157.16868
SMILES: C1=CC2=C(C(=C1)C=O)N=CC=C2
Structure:
CAS RN: 38690-77-6
CAS Name: 4-butylbenzoic acid (4-cyanophenyl) ester
OPENEYE Name: (4-cyanophenyl) 4-butylbenzoate
IUPAC Name: (4-cyanophenyl) 4-butylbenzoate
SYSTEMATIC NAME: (4-cyanophenyl) 4-butylbenzoate
MOLECULAR FORMULA: C18H17NO2
MOLECULAR WEIGHT: 279.33308
SMILES: CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
Structure:
CAS RN: 49696-17-5
CAS Name: 2,5-diethoxy-4-[[(4-methylphenyl)-oxomethyl]amino]benzenediazonium; tetrachlorozinc(2-)
OPENEYE Name: 2,5-diethoxy-4-[(4-methylbenzoyl)amino]benzenediazonium; tetrachlorozinc(2-)
IUPAC Name: 2,5-diethoxy-4-[(4-methylbenzoyl)amino]benzenediazonium; tetrachlorozinc(2-)
SYSTEMATIC NAME: 2,5-diethoxy-4-[(4-methylphenyl)carbonylamino]benzenediazonium; tetrakis(chloranyl)zinc(2-)
MOLECULAR FORMULA: C36H40Cl4N6O6Zn
MOLECULAR WEIGHT: 859.9604
SMILES: CCOC1=CC(=C(C=C1[N+]#N)OCC)NC(=O)C2=CC=C(C=C2)C.CCOC1=CC(=C(C=C1[N+]#N)OCC)NC(=O)C2=CC=C(C=C2)C.Cl[Zn-2](Cl)(Cl)Cl
Structure:
CAS RN: 66526-20-3
CAS Name: benzoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester
OPENEYE Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] benzoate
IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
SYSTEMATIC NAME: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] benzoate
MOLECULAR FORMULA: C17H24O2
MOLECULAR WEIGHT: 260.37126
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC=CC=C2)C(C)C
Structure:
CAS RN: 6284-35-1
CAS Name: benzoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester
OPENEYE Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] benzoate
IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
SYSTEMATIC NAME: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] benzoate
MOLECULAR FORMULA: C17H24O2
MOLECULAR WEIGHT: 260.37126
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC=CC=C2)C(C)C
Structure:
CAS RN: 38649-18-2
CAS Name: benzoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester
OPENEYE Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] benzoate
IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
SYSTEMATIC NAME: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] benzoate
MOLECULAR FORMULA: C17H24O2
MOLECULAR WEIGHT: 260.37126
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC=CC=C2)C(C)C
Structure:
CAS RN: 49612-12-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H32O12
MOLECULAR WEIGHT: 584.56788
SMILES: CC12CC([C@H]([C@@H]1O)O)(O[C@@]2(COC(=O)C3=CC=CC=C3)O[C@]45CC6=COC(=C64)OC5)COC(=O)C7CC(C(C=C7)O)O
Structure:
CAS RN: 38582-18-2
CAS Name: zinc 4-cyclohexylbutanoate
OPENEYE Name: zinc 4-cyclohexylbutanoate
IUPAC Name: zinc 4-cyclohexylbutanoate
SYSTEMATIC NAME: zinc 4-cyclohexylbutanoate
MOLECULAR FORMULA: C20H34O4Zn
MOLECULAR WEIGHT: 403.89056
SMILES: C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Zn+2]
Structure:
CAS RN: 38578-24-4
CAS Name: 5,5-bis(bromomethyl)-2-chloro-1,3,2-dioxaphosphorinane
OPENEYE Name: 5,5-bis(bromomethyl)-2-chloro-1,3,2-dioxaphosphinane
IUPAC Name: 5,5-bis(bromomethyl)-2-chloro-1,3,2-dioxaphosphinane
SYSTEMATIC NAME: 5,5-bis(bromomethyl)-2-chloranyl-1,3,2-dioxaphosphinane
MOLECULAR FORMULA: C5H8Br2ClO2P
MOLECULAR WEIGHT: 326.350581
SMILES: C1C(COP(O1)Cl)(CBr)CBr
Structure:
CAS RN: 65451-89-0
CAS Name: 5,5-bis(bromomethyl)-2-chloro-1,3,2-dioxaphosphorinane
OPENEYE Name: 5,5-bis(bromomethyl)-2-chloro-1,3,2-dioxaphosphinane
IUPAC Name: 5,5-bis(bromomethyl)-2-chloro-1,3,2-dioxaphosphinane
SYSTEMATIC NAME: 5,5-bis(bromomethyl)-2-chloranyl-1,3,2-dioxaphosphinane
MOLECULAR FORMULA: C5H8Br2ClO2P
MOLECULAR WEIGHT: 326.350581
SMILES: C1C(COP(O1)Cl)(CBr)CBr
Structure:
CAS RN: 38568-24-0
CAS Name: 4-(3-$l^{1}-oxidanyl-4,4-dimethyl-2-tridecyl-2-oxazolidinyl)butanoic acid methyl ester
OPENEYE Name: methyl 4-(3-$l^{1}-oxidanyl-4,4-dimethyl-2-tridecyl-oxazolidin-2-yl)butanoate
IUPAC Name: methyl 4-(3-$l^{1}-oxidanyl-4,4-dimethyl-2-tridecyl-1,3-oxazolidin-2-yl)butanoate
SYSTEMATIC NAME: methyl 4-(3-$l^{1}-oxidanyl-4,4-dimethyl-2-tridecyl-1,3-oxazolidin-2-yl)butanoate
MOLECULAR FORMULA: C23H44NO4
MOLECULAR WEIGHT: 398.59976
SMILES: CCCCCCCCCCCCCC1(N(C(CO1)(C)C)[O])CCCC(=O)OC
Structure:
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