CAS RN: 54272-29-6
CAS Name: N,N-diethylethanamine; sulfuric acid
OPENEYE Name: N,N-diethylethanamine; sulfuric acid
IUPAC Name: N,N-diethylethanamine; sulfuric acid
SYSTEMATIC NAME: N,N-diethylethanamine; sulfuric acid
MOLECULAR FORMULA: C6H17NO4S
MOLECULAR WEIGHT: 199.26848
SMILES: CCN(CC)CC.OS(=O)(=O)O
Structure:
CAS RN: 54242-79-4
CAS Name: 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
OPENEYE Name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
IUPAC Name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SYSTEMATIC NAME: 4-azanyl-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C26H32N8O5S
MOLECULAR WEIGHT: 568.64788
SMILES: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
Structure:
CAS RN: 54228-09-0
CAS Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol; terephthalic acid
OPENEYE Name: furan-2,5-dione; isophthalic acid; propane-1,2-diol; terephthalic acid
IUPAC Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol; terephthalic acid
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol; terephthalic acid
MOLECULAR FORMULA: C23H22O13
MOLECULAR WEIGHT: 506.41298
SMILES: CC(CO)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC(=O)OC1=O
Structure:
CAS RN: 54200-50-9
CAS Name: acetic acid [(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methyl ester
OPENEYE Name: [(1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methyl acetate
IUPAC Name: [(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methyl acetate
SYSTEMATIC NAME: [(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methyl ethanoate
MOLECULAR FORMULA: C22H34O2
MOLECULAR WEIGHT: 330.50416
SMILES: CC(C)C1=CC2=CC[C@H]3[C@](CCC[C@@]3([C@H]2CC1)C)(C)COC(=O)C
Structure:
CAS RN: 54175-82-5
CAS Name: 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenol
OPENEYE Name: 3-allyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenol
IUPAC Name: 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenol
SYSTEMATIC NAME: 4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-prop-2-enyl-phenol
MOLECULAR FORMULA: C15H23NO3
MOLECULAR WEIGHT: 265.34802
SMILES: CC(C)NCC(COC1=C(C=C(C=C1)O)CC=C)O
Structure:
CAS RN: 54175-25-6
CAS Name: heptanoic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester; propanoic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a
OPENEYE Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate; [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propa
IUPAC Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate; [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propa
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate; [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phen
MOLECULAR FORMULA: C48H72O6
MOLECULAR WEIGHT: 745.08168
SMILES: CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C.CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
Structure:
CAS RN: 54140-20-4
CAS Name: hexadecanoic acid [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-(1-oxohexadecoxy)ethyl]-4-(1-oxohexadecoxy)-3-oxolanyl] ester
OPENEYE Name: [(3S,4R,5R)-4-hexadecanoyloxy-5-[(1R)-1-hexadecanoyloxy-2-hydroxy-ethyl]tetrahydrofuran-3-yl] hexadecanoate
IUPAC Name: [(3S,4R,5R)-4-hexadecanoyloxy-5-[(1R)-1-hexadecanoyloxy-2-hydroxyethyl]oxolan-3-yl] hexadecanoate
SYSTEMATIC NAME: [(3S,4R,5R)-4-hexadecanoyloxy-5-[(1R)-1-hexadecanoyloxy-2-oxidanyl-ethyl]oxolan-3-yl] hexadecanoate
MOLECULAR FORMULA: C54H102O8
MOLECULAR WEIGHT: 879.38288
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 54135-54-5
CAS Name: diethyl-(2-hydroxyethyl)-methylammonium; methyl sulfate
OPENEYE Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate
IUPAC Name: diethyl-(2-hydroxyethyl)-methylazanium; methyl sulfate
SYSTEMATIC NAME: diethyl-(2-hydroxyethyl)-methyl-azanium; methyl sulfate
MOLECULAR FORMULA: C8H21NO5S
MOLECULAR WEIGHT: 243.32104
SMILES: CC[N+](C)(CC)CCO.COS(=O)(=O)[O-]
Structure:
CAS RN: 54097-71-1
CAS Name: cerium-141(3+) trichloride
OPENEYE Name: cerium-141(3+) trichloride
IUPAC Name: cerium-141(3+) trichloride
SYSTEMATIC NAME: cerium-141(3+) trichloride
MOLECULAR FORMULA: CeCl3
MOLECULAR WEIGHT: 247.267271
SMILES: [Cl-].[Cl-].[Cl-].[141Ce+3]
Structure:
CAS RN: 53998-02-0
CAS Name: 3-(1,1,2,2-tetrafluoroethyl)phenol
OPENEYE Name: 3-(1,1,2,2-tetrafluoroethyl)phenol
IUPAC Name: 3-(1,1,2,2-tetrafluoroethyl)phenol
SYSTEMATIC NAME: 3-[1,1,2,2-tetrakis(fluoranyl)ethyl]phenol
MOLECULAR FORMULA: C8H6F4O
MOLECULAR WEIGHT: 194.126253
SMILES: C1=CC(=CC(=C1)O)C(C(F)F)(F)F
Structure:
CAS RN: 53950-14-4
CAS Name: (6R,7R)-7-[(2-amino-1-oxo-2-phenylethyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (2S)-2,6-diaminohexanoic acid
OPENEYE Name: (6R,7R)-7-[(2-amino-2-phenyl-acetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (2S)-2,6-diaminohexanoic acid
IUPAC Name: (6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (2S)-2,6-diaminohexanoic acid
SYSTEMATIC NAME: (6R,7R)-7-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (2S)-2,6-bis(azanyl)hexanoic acid
MOLECULAR FORMULA: C22H31N5O6S
MOLECULAR WEIGHT: 493.57644
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.C(CCN)C[C@@H](C(=O)O)N
Structure:
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