CAS RN: 71839-14-0
CAS Name: 2-methyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine hydrobromide
OPENEYE Name: 2-methyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine hydrobromide
IUPAC Name: 2-methyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine hydrobromide
SYSTEMATIC NAME: 2-methyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine hydrobromide
MOLECULAR FORMULA: C19H18BrN
MOLECULAR WEIGHT: 340.25692
SMILES: CN1CC=C2C(=C(C3=CC=CC=C23)C4=CC=CC=C4)C1.Br
Structure:
CAS RN: 71812-08-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H26N2O2
MOLECULAR WEIGHT: 314.42194
SMILES: CN1C[C@@H]2C[C@H]3CCC(=O)[C@H]4[C@H]3N2C[C@@H]1CC5=C[C@H]4C(=O)CC5
Structure:
CAS RN: 71501-40-1
CAS Name: 2-[(4-chlorophenyl)methylthio]ethanol
OPENEYE Name: 2-[(4-chlorophenyl)methylsulfanyl]ethanol
IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]ethanol
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methylsulfanyl]ethanol
MOLECULAR FORMULA: C9H11ClOS
MOLECULAR WEIGHT: 202.70104
SMILES: C1=CC(=CC=C1CSCCO)Cl
Structure:
CAS RN: 70783-45-8
CAS Name: 2,2,2-trifluoro-1-[4-(4-morpholinyl)phenyl]ethanol
OPENEYE Name: 2,2,2-trifluoro-1-(4-morpholinophenyl)ethanol
IUPAC Name: 2,2,2-trifluoro-1-(4-morpholin-4-ylphenyl)ethanol
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-1-(4-morpholin-4-ylphenyl)ethanol
MOLECULAR FORMULA: C12H14F3NO2
MOLECULAR WEIGHT: 261.24027
SMILES: C1COCCN1C2=CC=C(C=C2)C(C(F)(F)F)O
Structure:
CAS RN: 70780-21-1
CAS Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione
OPENEYE Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-2-hydroxy-indane-1,3-dione
IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione
SYSTEMATIC NAME: 2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-2-oxidanyl-indene-1,3-dione
MOLECULAR FORMULA: C19H16O6
MOLECULAR WEIGHT: 340.32674
SMILES: COC1=C(C=C(C=C1)C(=O)CC2(C(=O)C3=CC=CC=C3C2=O)O)OC
Structure:
CAS RN: 70650-90-7
CAS Name: 3,5-bis(3-chlorophenyl)-1,2,4-thiadiazole
OPENEYE Name: 3,5-bis(3-chlorophenyl)-1,2,4-thiadiazole
IUPAC Name: 3,5-bis(3-chlorophenyl)-1,2,4-thiadiazole
SYSTEMATIC NAME: 3,5-bis(3-chlorophenyl)-1,2,4-thiadiazole
MOLECULAR FORMULA: C14H8Cl2N2S
MOLECULAR WEIGHT: 307.19772
SMILES: C1=CC(=CC(=C1)Cl)C2=NSC(=N2)C3=CC(=CC=C3)Cl
Structure:
CAS RN: 70540-36-2
CAS Name: 3,5-bis(2-chlorophenyl)-1,2,4-thiadiazole
OPENEYE Name: 3,5-bis(2-chlorophenyl)-1,2,4-thiadiazole
IUPAC Name: 3,5-bis(2-chlorophenyl)-1,2,4-thiadiazole
SYSTEMATIC NAME: 3,5-bis(2-chlorophenyl)-1,2,4-thiadiazole
MOLECULAR FORMULA: C14H8Cl2N2S
MOLECULAR WEIGHT: 307.19772
SMILES: C1=CC=C(C(=C1)C2=NSC(=N2)C3=CC=CC=C3Cl)Cl
Structure:
CAS RN: 70537-09-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H43N3O2
MOLECULAR WEIGHT: 441.64922
SMILES: CCC(C)(CCCC(C)C)C1=C2C3=C(C=C1)N(C(C(=O)NC(CC3=CN2)CO)C(C)C)C
Structure:
CAS RN: 70424-77-0
CAS Name: N,N-diethyl-2-[(4,7,7-trimethyl-5-bicyclo[4.1.0]hept-3-enyl)methoxy]ethanamine
OPENEYE Name: N,N-diethyl-2-[(4,7,7-trimethyl-5-bicyclo[4.1.0]hept-3-enyl)methoxy]ethanamine
IUPAC Name: N,N-diethyl-2-[(4,7,7-trimethyl-5-bicyclo[4.1.0]hept-3-enyl)methoxy]ethanamine
SYSTEMATIC NAME: N,N-diethyl-2-[(4,7,7-trimethyl-5-bicyclo[4.1.0]hept-3-enyl)methoxy]ethanamine
MOLECULAR FORMULA: C17H31NO
MOLECULAR WEIGHT: 265.43414
SMILES: CCN(CC)CCOCC1C2C(C2(C)C)CC=C1C
Structure:
CAS RN: 70244-08-5
CAS Name: 2,5-dihydroxybenzenesulfonic acid; formaldehyde
OPENEYE Name: 2,5-dihydroxybenzenesulfonic acid; formaldehyde
IUPAC Name: 2,5-dihydroxybenzenesulfonic acid; formaldehyde
SYSTEMATIC NAME: 2,5-bis(oxidanyl)benzenesulfonic acid; methanal
MOLECULAR FORMULA: C7H8O6S
MOLECULAR WEIGHT: 220.19982
SMILES: C=O.C1=CC(=C(C=C1O)S(=O)(=O)O)O
Structure:
CAS RN: 70161-10-3
CAS Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide hydrochloride
OPENEYE Name: 5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-benzamide hydrochloride
IUPAC Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide hydrochloride
SYSTEMATIC NAME: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzamide hydrochloride
MOLECULAR FORMULA: C20H25ClN2O5
MOLECULAR WEIGHT: 408.8759
SMILES: CC(CCC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C=C3)O)C(=O)N)O.Cl
Structure:
CAS RN: 70121-39-0
CAS Name: N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-(diethylamino)acetamide hydrochloride
OPENEYE Name: N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-(diethylamino)acetamide hydrochloride
IUPAC Name: N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-(diethylamino)acetamide hydrochloride
SYSTEMATIC NAME: N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-(diethylamino)ethanamide hydrochloride
MOLECULAR FORMULA: C19H25ClN4O
MOLECULAR WEIGHT: 360.881
SMILES: CCN(CC)CC(=O)NC1=C(C(=C(N1)CC2=CC=CC=C2)C)C#N.Cl
Structure:
CAS RN: 69431-87-4
CAS Name: 4-acetyl-10-(1-acetyl-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-8,9-dihydroxy-3-methyl-4H-anthracen-1-one
OPENEYE Name: 4-acetyl-10-(1-acetyl-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-8,9-dihydroxy-3-methyl-4H-anthracen-1-one
IUPAC Name: 4-acetyl-10-(1-acetyl-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-8,9-dihydroxy-3-methyl-4H-anthracen-1-one
SYSTEMATIC NAME: 4-ethanoyl-10-[1-ethanoyl-2-methyl-2,5,10-tris(oxidanyl)-4-oxidanylidene-1,3-dihydroanthracen-9-yl]-3-methyl-8,9-bis(oxidanyl)-4H-anthracen-1-one
MOLECULAR FORMULA: C34H28O9
MOLECULAR WEIGHT: 580.58072
SMILES: CC1=CC(=O)C2=C(C3=C(C=CC=C3O)C(=C2C1C(=O)C)C4=C5C(C(CC(=O)C5=C(C6=C4C=CC=C6O)O)(C)O)C(=O)C)O
Structure:
CAS RN: 69113-01-5
CAS Name: 1,1,3-tris(2-chloroethyl)-3-nitrosourea
OPENEYE Name: 1,1,3-tris(2-chloroethyl)-3-nitroso-urea
IUPAC Name: 1,1,3-tris(2-chloroethyl)-3-nitrosourea
SYSTEMATIC NAME: 1,1,3-tris(2-chloroethyl)-3-nitroso-urea
MOLECULAR FORMULA: C7H12Cl3N3O2
MOLECULAR WEIGHT: 276.54808
SMILES: C(CCl)N(CCCl)C(=O)N(CCCl)N=O
Structure:
CAS RN: 68692-77-3
CAS Name: (1-phenylcyclohexyl)methanol
OPENEYE Name: (1-phenylcyclohexyl)methanol
IUPAC Name: (1-phenylcyclohexyl)methanol
SYSTEMATIC NAME: (1-phenylcyclohexyl)methanol
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: C1CCC(CC1)(CO)C2=CC=CC=C2
Structure:
CAS RN: 68640-58-4
CAS Name: 2-[(diethoxyphosphorylthio)methylthio]acetic acid ethyl ester
OPENEYE Name: ethyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)acetate
IUPAC Name: ethyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)acetate
SYSTEMATIC NAME: ethyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)ethanoate
MOLECULAR FORMULA: C9H19O5PS2
MOLECULAR WEIGHT: 302.347921
SMILES: CCOC(=O)CSCSP(=O)(OCC)OCC
Structure:
CAS RN: 68499-62-7
CAS Name: acetic acid [(2R,3R,4R,5R,6S)-3,4,6-triacetyloxy-5-[(2-bromo-1-oxoethyl)amino]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3R,4R,5R,6S)-3,4,6-triacetoxy-5-[(2-bromoacetyl)amino]tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(2R,3R,4R,5R,6S)-3,4,6-triacetyloxy-5-[(2-bromoacetyl)amino]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4R,5R,6S)-3,4,6-triacetyloxy-5-(2-bromanylethanoylamino)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H22BrNO10
MOLECULAR WEIGHT: 468.25058
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)NC(=O)CBr)OC(=O)C)OC(=O)C
Structure:
CAS RN: 68499-61-6
CAS Name: acetic acid [(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-[(2-bromo-1-oxoethyl)amino]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4R,5R,6S)-3,4,6-triacetoxy-5-[(2-bromoacetyl)amino]tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-[(2-bromoacetyl)amino]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-(2-bromanylethanoylamino)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H22BrNO10
MOLECULAR WEIGHT: 468.25058
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)NC(=O)CBr)OC(=O)C)OC(=O)C
Structure:
CAS RN: 68484-35-5
CAS Name: 4-[[6-methyl-4-(phenylmethyl)-1,3-dihydrofuro[3,4-c]pyridin-7-yl]oxy]-N-propan-2-yl-1-butanamine dihydrochloride
OPENEYE Name: 4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-isopropyl-butan-1-amine dihydrochloride
IUPAC Name: 4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylbutan-1-amine dihydrochloride
SYSTEMATIC NAME: 4-[[6-methyl-4-(phenylmethyl)-1,3-dihydrofuro[3,4-c]pyridin-7-yl]oxy]-N-propan-2-yl-butan-1-amine dihydrochloride
MOLECULAR FORMULA: C22H32Cl2N2O2
MOLECULAR WEIGHT: 427.40768
SMILES: CC1=C(C2=C(COC2)C(=N1)CC3=CC=CC=C3)OCCCCNC(C)C.Cl.Cl
Structure:
CAS RN: 68165-40-2
CAS Name: 2,4,6-tris(2-methylpropyl)-1,3,5-trioxane
OPENEYE Name: 2,4,6-triisobutyl-1,3,5-trioxane
IUPAC Name: 2,4,6-tris(2-methylpropyl)-1,3,5-trioxane
SYSTEMATIC NAME: 2,4,6-tris(2-methylpropyl)-1,3,5-trioxane
MOLECULAR FORMULA: C15H30O3
MOLECULAR WEIGHT: 258.3969
SMILES: CC(C)CC1OC(OC(O1)CC(C)C)CC(C)C
Structure:
CAS RN: 68026-87-9
CAS Name: (1S,4aR,6aR,7R)-1-(chloromethyl)-1-hydroxy-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
OPENEYE Name: (1S,4aR,6aR,7R)-1-(chloromethyl)-1-hydroxy-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
IUPAC Name: (1S,4aR,6aR,7R)-1-(chloromethyl)-1-hydroxy-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
SYSTEMATIC NAME: (1S,4aR,6aR,7R)-1-(chloromethyl)-7,8-dimethyl-1-oxidanyl-2-oxidanylidene-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
MOLECULAR FORMULA: C15H17ClO5
MOLECULAR WEIGHT: 312.74548
SMILES: C[C@@H]1[C@H]2C=C([C@H]3C2(C=C1C)[C@](C(=O)OC3)(CCl)O)C(=O)O
Structure:
CAS RN: 68000-78-2
CAS Name: (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-[[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)-2-oxanyl]oxy]-3-hydroxycyclohexyl]-2-hydroxypropanamide; sulfuric acid
OPENEYE Name: (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-propanamide; sulfuric ac
IUPAC Name: (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide; sulfuric acid
SYSTEMATIC NAME: (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2R,3R,4R,5R)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-3-azanyl-2-oxidanyl-propanamide; sulfuric acid
MOLECULAR FORMULA: C22H47N5O20S2
MOLECULAR WEIGHT: 765.76008
SMILES: C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N)NC(=O)[C@H](CN)O)O.OS(=O)(=O)O.OS(=O)(=O)O
Structure:
CAS RN: 67590-46-9
CAS Name: 4-tert-butyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
OPENEYE Name: 4-tert-butyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
IUPAC Name: 4-tert-butyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-tert-butyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
MOLECULAR FORMULA: C8H15O3P
MOLECULAR WEIGHT: 190.176661
SMILES: CC(C)(C)C12COP(OC1)OC2
Structure:
CAS RN: 67219-44-7
CAS Name: [2-(bromomethyl)phenyl]methyl-triphenylphosphonium bromide
OPENEYE Name: [2-(bromomethyl)phenyl]methyl-triphenyl-phosphonium bromide
IUPAC Name: [2-(bromomethyl)phenyl]methyl-triphenylphosphanium bromide
SYSTEMATIC NAME: [2-(bromomethyl)phenyl]methyl-triphenyl-phosphanium bromide
MOLECULAR FORMULA: C26H23Br2P
MOLECULAR WEIGHT: 526.242581
SMILES: C1=CC=C(C=C1)[P+](CC2=CC=CC=C2CBr)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
Structure:
CAS RN: 67160-74-1
CAS Name: 2,2-dimethylpropanoic acid [4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenyl] ester
OPENEYE Name: [4-[1-hydroxy-2-[(1-methyl-2-phenoxy-ethyl)amino]propyl]phenyl] 2,2-dimethylpropanoate
IUPAC Name: [4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenyl] 2,2-dimethylpropanoate
SYSTEMATIC NAME: [4-[1-oxidanyl-2-(1-phenoxypropan-2-ylamino)propyl]phenyl] 2,2-dimethylpropanoate
MOLECULAR FORMULA: C23H31NO4
MOLECULAR WEIGHT: 385.49654
SMILES: CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)OC(=O)C(C)(C)C)O
Structure:
CAS RN: 67069-39-0
CAS Name: (3S,11bR)-N,N-diethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide
OPENEYE Name: (3S,11bR)-N,N-diethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide
IUPAC Name: (3S,11bR)-N,N-diethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide
SYSTEMATIC NAME: (3S,11bR)-N,N-diethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide
MOLECULAR FORMULA: C19H28N2O4
MOLECULAR WEIGHT: 348.43662
SMILES: CCN(CC)C(=O)[C@@H]1CN2CCC3=CC(=C(C=C3[C@@H]2CO1)OC)OC
Structure:
CAS RN: 67069-38-9
CAS Name: (3S,11bR)-N,N-diethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide hydrochloride
OPENEYE Name: (3S,11bR)-N,N-diethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide hydrochloride
IUPAC Name: (3S,11bR)-N,N-diethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide hydrochloride
SYSTEMATIC NAME: (3S,11bR)-N,N-diethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide hydrochloride
MOLECULAR FORMULA: C19H29ClN2O4
MOLECULAR WEIGHT: 384.89756
SMILES: CCN(CC)C(=O)[C@@H]1CN2CCC3=CC(=C(C=C3[C@@H]2CO1)OC)OC.Cl
Structure:
CAS RN: 66903-23-9
CAS Name: 1-methyl-3-(3-methylcyclohexyl)dioxycyclohexane
OPENEYE Name: 1-methyl-3-(3-methylcyclohexyl)peroxy-cyclohexane
IUPAC Name: 1-methyl-3-(3-methylcyclohexyl)peroxycyclohexane
SYSTEMATIC NAME: 1-methyl-3-(3-methylcyclohexyl)peroxy-cyclohexane
MOLECULAR FORMULA: C14H26O2
MOLECULAR WEIGHT: 226.35504
SMILES: CC1CCCC(C1)OOC2CCCC(C2)C
Structure:
CAS RN: 66731-42-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H58O8
MOLECULAR WEIGHT: 618.84092
SMILES: CCCCCCCCCCCCCC(=O)OC1C(C2(C(CC(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C
Structure:
CAS RN: 66634-44-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H27ClN2O3
MOLECULAR WEIGHT: 390.90368
SMILES: COC(=O)[C@@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl
Structure:
CAS RN: 66157-43-5
CAS Name: (2R,3R)-2,3-dihydroxybutanedioate; 4-[1-hydroxy-2-[4-(phenylmethyl)-1-piperidinyl]propyl]phenol
OPENEYE Name: 4-[2-(4-benzyl-1-piperidyl)-1-hydroxy-propyl]phenol; (2R,3R)-2,3-dihydroxybutanedioate
IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol; (2R,3R)-2,3-dihydroxybutanedioate
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioate; 4-[1-oxidanyl-2-[4-(phenylmethyl)piperidin-1-yl]propyl]phenol
MOLECULAR FORMULA: C46H58N2O10-2
MOLECULAR WEIGHT: 798.96012
SMILES: CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O
Structure:
CAS RN: 66142-87-8
CAS Name: N-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-phenylpropanamide
OPENEYE Name: N-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-phenyl-propanamide
IUPAC Name: N-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-phenylpropanamide
SYSTEMATIC NAME: N-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-phenyl-propanamide
MOLECULAR FORMULA: C22H26N2O
MOLECULAR WEIGHT: 334.45464
SMILES: CCC(=O)N(C1CCN2CCC3=CC=CC=C3C2C1)C4=CC=CC=C4
Structure:
CAS RN: 66052-89-9
CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)-2-propanol
OPENEYE Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C18H26N2O8
MOLECULAR WEIGHT: 398.40764
SMILES: CC(C)NCC(COC1=CC=CC2=C1C=CN2)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 65858-52-8
CAS Name: carbamimidothioic acid 2,1,3-benzothiadiazol-5-ylmethyl ester hydrobromide
OPENEYE Name: 2-(2,1,3-benzothiadiazol-5-ylmethyl)isothiourea hydrobromide
IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl carbamimidothioate hydrobromide
SYSTEMATIC NAME: 2,1,3-benzothiadiazol-5-ylmethyl carbamimidothioate hydrobromide
MOLECULAR FORMULA: C8H9BrN4S2
MOLECULAR WEIGHT: 305.21786
SMILES: C1=CC2=NSN=C2C=C1CSC(=N)N.Br
Structure:
CAS RN: 12127-27-4
CAS Name: carbonic acid; nickel; dihydrate
OPENEYE Name: carbonic acid; nickel; dihydrate
IUPAC Name: carbonic acid; nickel; dihydrate
SYSTEMATIC NAME: carbonic acid; nickel; dihydrate
MOLECULAR FORMULA: CH6Ni2O5
MOLECULAR WEIGHT: 215.44214
SMILES: C(=O)(O)O.O.O.[Ni].[Ni]
Structure:
CAS RN: 165889-80-5
CAS Name: carbonic acid; nickel; dihydrate
OPENEYE Name: carbonic acid; nickel; dihydrate
IUPAC Name: carbonic acid; nickel; dihydrate
SYSTEMATIC NAME: carbonic acid; nickel; dihydrate
MOLECULAR FORMULA: CH6Ni2O5
MOLECULAR WEIGHT: 215.44214
SMILES: C(=O)(O)O.O.O.[Ni].[Ni]
Structure:
CAS RN: 342774-54-3
CAS Name: carbonic acid; nickel; dihydrate
OPENEYE Name: carbonic acid; nickel; dihydrate
IUPAC Name: carbonic acid; nickel; dihydrate
SYSTEMATIC NAME: carbonic acid; nickel; dihydrate
MOLECULAR FORMULA: CH6Ni2O5
MOLECULAR WEIGHT: 215.44214
SMILES: C(=O)(O)O.O.O.[Ni].[Ni]
Structure:
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