CAS RN: 12035-95-9
CAS Name: oxygen(2-); titanium(4+)
OPENEYE Name: oxygen(2-); titanium(4+)
IUPAC Name: oxygen(2-); titanium(4+)
SYSTEMATIC NAME: oxygen(2-); titanium(4+)
MOLECULAR FORMULA: O2Ti
MOLECULAR WEIGHT: 79.8658
SMILES: [O-2].[O-2].[Ti+4]
Structure:
CAS RN: 51745-87-0
CAS Name: oxygen(2-); titanium(4+)
OPENEYE Name: oxygen(2-); titanium(4+)
IUPAC Name: oxygen(2-); titanium(4+)
SYSTEMATIC NAME: oxygen(2-); titanium(4+)
MOLECULAR FORMULA: O2Ti
MOLECULAR WEIGHT: 79.8658
SMILES: [O-2].[O-2].[Ti+4]
Structure:
CAS RN: 51635-81-5
CAS Name: diethyl-methyl-[[3-[[methyl(diphenyl)ammonio]methyl]-2-oxo-1-imidazolidinyl]methyl]ammonium sulfate
OPENEYE Name: diethyl-methyl-[[3-[[methyl(diphenyl)ammonio]methyl]-2-oxo-imidazolidin-1-yl]methyl]ammonium sulfate
IUPAC Name: diethyl-methyl-[[3-[[methyl(diphenyl)azaniumyl]methyl]-2-oxoimidazolidin-1-yl]methyl]azanium sulfate
SYSTEMATIC NAME: diethyl-methyl-[[3-[[methyl(diphenyl)azaniumyl]methyl]-2-oxidanylidene-imidazolidin-1-yl]methyl]azanium sulfate
MOLECULAR FORMULA: C23H34N4O5S
MOLECULAR WEIGHT: 478.60486
SMILES: CC[N+](C)(CC)CN1CCN(C1=O)C[N+](C)(C2=CC=CC=C2)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]
Structure:
CAS RN: 51415-07-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26O3
MOLECULAR WEIGHT: 314.41864
SMILES: C[C@]1(CC[C@@H]2C(=C[C@@H]3[C@@H]4[C@@]2(CCC(=O)[C@@]4(C(=O)O3)C)C)C1)C=C
Structure:
CAS RN: 5459-39-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26O3
MOLECULAR WEIGHT: 314.41864
SMILES: C[C@]1(CC[C@@H]2C(=C[C@@H]3[C@@H]4[C@@]2(CCC(=O)[C@@]4(C(=O)O3)C)C)C1)C=C
Structure:
CAS RN: 51379-07-8
CAS Name: bis(4-methyl-2-oxo-1-benzopyran-7-yl) hydrogen phosphate
OPENEYE Name: bis(4-methyl-2-oxo-chromen-7-yl) hydrogen phosphate
IUPAC Name: bis(4-methyl-2-oxochromen-7-yl) hydrogen phosphate
SYSTEMATIC NAME: bis(4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen phosphate
MOLECULAR FORMULA: C20H15O8P
MOLECULAR WEIGHT: 414.302061
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)(O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C
Structure:
CAS RN: 51307-92-7
CAS Name: disodium (2R,3R)-2,3-dihydroxybutanedioate
OPENEYE Name: disodium (2R,3R)-2,3-dihydroxybutanedioate
IUPAC Name: disodium (2R,3R)-2,3-dihydroxybutanedioate
SYSTEMATIC NAME: disodium (2R,3R)-2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C4H4Na2O6
MOLECULAR WEIGHT: 194.0505
SMILES: [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[Na+].[Na+]
Structure:
CAS RN: 5458-18-4
CAS Name: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)-2-propanol hydrochloride
OPENEYE Name: 1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol hydrochloride
IUPAC Name: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
SYSTEMATIC NAME: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
MOLECULAR FORMULA: C14H21ClN2O2
MOLECULAR WEIGHT: 284.78174
SMILES: CC(C)NCC(COC1=CC=CC2=C1C=CN2)O.Cl
Structure:
CAS RN: 54581-92-9
CAS Name: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)-2-propanol hydrochloride
OPENEYE Name: 1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol hydrochloride
IUPAC Name: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
SYSTEMATIC NAME: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
MOLECULAR FORMULA: C14H21ClN2O2
MOLECULAR WEIGHT: 284.78174
SMILES: CC(C)NCC(COC1=CC=CC2=C1C=CN2)O.Cl
Structure:
CAS RN: 28813-39-0
CAS Name: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)-2-propanol hydrochloride
OPENEYE Name: 1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol hydrochloride
IUPAC Name: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
SYSTEMATIC NAME: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
MOLECULAR FORMULA: C14H21ClN2O2
MOLECULAR WEIGHT: 284.78174
SMILES: CC(C)NCC(COC1=CC=CC2=C1C=CN2)O.Cl
Structure:
CAS RN: 36236-36-9
CAS Name: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)-2-propanol hydrochloride
OPENEYE Name: 1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol hydrochloride
IUPAC Name: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
SYSTEMATIC NAME: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
MOLECULAR FORMULA: C14H21ClN2O2
MOLECULAR WEIGHT: 284.78174
SMILES: CC(C)NCC(COC1=CC=CC2=C1C=CN2)O.Cl
Structure:
CAS RN: 5457-50-1
CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzamidomethyl ester
OPENEYE Name: benzamidomethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC Name: benzamidomethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: benzamidomethyl (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C24H25N3O5S
MOLECULAR WEIGHT: 467.5374
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OCNC(=O)C4=CC=CC=C4)C
Structure:
CAS RN: 54575-17-6
CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzamidomethyl ester
OPENEYE Name: benzamidomethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC Name: benzamidomethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: benzamidomethyl (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C24H25N3O5S
MOLECULAR WEIGHT: 467.5374
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OCNC(=O)C4=CC=CC=C4)C
Structure:
CAS RN: 51136-86-8
CAS Name: 2-ethylhexanoic acid bis(2-ethyl-1-oxohexoxy)boranyl ester
OPENEYE Name: bis(2-ethylhexanoyloxy)boranyl 2-ethylhexanoate
IUPAC Name: bis(2-ethylhexanoyloxy)boranyl 2-ethylhexanoate
SYSTEMATIC NAME: bis(2-ethylhexanoyloxy)boranyl 2-ethylhexanoate
MOLECULAR FORMULA: C24H45BO6
MOLECULAR WEIGHT: 440.4215
SMILES: B(OC(=O)C(CC)CCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC
Structure:
CAS RN: 51085-52-0
CAS Name: 2-methyl-5-nitroaniline hydrochloride
OPENEYE Name: 2-methyl-5-nitro-aniline hydrochloride
IUPAC Name: 2-methyl-5-nitroaniline hydrochloride
SYSTEMATIC NAME: 2-methyl-5-nitro-aniline hydrochloride
MOLECULAR FORMULA: C7H9ClN2O2
MOLECULAR WEIGHT: 188.61156
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])N.Cl
Structure:
CAS RN: 51016-63-8
CAS Name: 3-[2,5-dichloro-4-[(3-oxo-1-isoindolyl)amino]anilino]-1-isoindolone
OPENEYE Name: 3-[2,5-dichloro-4-[(3-oxoisoindol-1-yl)amino]anilino]isoindol-1-one
IUPAC Name: 3-[2,5-dichloro-4-[(3-oxoisoindol-1-yl)amino]anilino]isoindol-1-one
SYSTEMATIC NAME: 3-[[2,5-bis(chloranyl)-4-[(3-oxidanylideneisoindol-1-yl)amino]phenyl]amino]isoindol-1-one
MOLECULAR FORMULA: C22H12Cl2N4O2
MOLECULAR WEIGHT: 435.26228
SMILES: C1=CC=C2C(=C1)C(=NC2=O)NC3=CC(=C(C=C3Cl)NC4=NC(=O)C5=CC=CC=C54)Cl
Structure:
CAS RN: 96352-23-7
CAS Name: 3-[2,5-dichloro-4-[(3-oxo-1-isoindolyl)amino]anilino]-1-isoindolone
OPENEYE Name: 3-[2,5-dichloro-4-[(3-oxoisoindol-1-yl)amino]anilino]isoindol-1-one
IUPAC Name: 3-[2,5-dichloro-4-[(3-oxoisoindol-1-yl)amino]anilino]isoindol-1-one
SYSTEMATIC NAME: 3-[[2,5-bis(chloranyl)-4-[(3-oxidanylideneisoindol-1-yl)amino]phenyl]amino]isoindol-1-one
MOLECULAR FORMULA: C22H12Cl2N4O2
MOLECULAR WEIGHT: 435.26228
SMILES: C1=CC=C2C(=C1)C(=NC2=O)NC3=CC(=C(C=C3Cl)NC4=NC(=O)C5=CC=CC=C54)Cl
Structure:
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