CAS RN: 94135-14-5
CAS Name: 2-[2-(2-hydroxycyclohexyl)propan-2-yl]-1-cyclohexanol
OPENEYE Name: 2-[1-(2-hydroxycyclohexyl)-1-methyl-ethyl]cyclohexanol
IUPAC Name: 2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol
SYSTEMATIC NAME: 2-[2-(2-oxidanylcyclohexyl)propan-2-yl]cyclohexan-1-ol
MOLECULAR FORMULA: C15H28O2
MOLECULAR WEIGHT: 240.38162
SMILES: CC(C)(C1CCCCC1O)C2CCCCC2O
Structure:
CAS RN: 72986-46-0
CAS Name: 2-(2-hydroxypropan-2-yloxy)-2-propanol
OPENEYE Name: 2-(1-hydroxy-1-methyl-ethoxy)propan-2-ol
IUPAC Name: 2-(2-hydroxypropan-2-yloxy)propan-2-ol
SYSTEMATIC NAME: 2-(2-oxidanylpropan-2-yloxy)propan-2-ol
MOLECULAR FORMULA: C6H14O3
MOLECULAR WEIGHT: 134.17356
SMILES: CC(C)(O)OC(C)(C)O
Structure:
CAS RN: 6919-32-0
CAS Name: tetrakis(prop-2-enyl)ammonium bromide
OPENEYE Name: tetraallylammonium bromide
IUPAC Name: tetrakis(prop-2-enyl)azanium bromide
SYSTEMATIC NAME: tetrakis(prop-2-enyl)azanium bromide
MOLECULAR FORMULA: C12H20BrN
MOLECULAR WEIGHT: 258.1979
SMILES: C=CC[N+](CC=C)(CC=C)CC=C.[Br-]
Structure:
CAS RN: 72548-77-7
CAS Name: 3,3-bis[4-(dimethylamino)phenyl]-6-(1-pyrrolidinyl)-1-isobenzofuranone
OPENEYE Name: 3,3-bis[4-(dimethylamino)phenyl]-6-pyrrolidin-1-yl-isobenzofuran-1-one
IUPAC Name: 3,3-bis[4-(dimethylamino)phenyl]-6-pyrrolidin-1-yl-2-benzofuran-1-one
SYSTEMATIC NAME: 3,3-bis[4-(dimethylamino)phenyl]-6-pyrrolidin-1-yl-2-benzofuran-1-one
MOLECULAR FORMULA: C28H31N3O2
MOLECULAR WEIGHT: 441.56464
SMILES: CN(C)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N4CCCC4)C(=O)O2)C5=CC=C(C=C5)N(C)C
Structure:
CAS RN: 1092287-54-1
CAS Name: 2-chloro-8-quinolinecarboxylic acid
OPENEYE Name: 2-chloroquinoline-8-carboxylic acid
IUPAC Name: 2-chloroquinoline-8-carboxylic acid
SYSTEMATIC NAME: 2-chloranylquinoline-8-carboxylic acid
MOLECULAR FORMULA: C10H6ClNO2
MOLECULAR WEIGHT: 207.61314
SMILES: C1=CC2=C(C(=C1)C(=O)O)N=C(C=C2)Cl
Structure:
CAS RN: 145485-58-1
CAS Name: 6-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
OPENEYE Name: 6-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
IUPAC Name: 6-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
SYSTEMATIC NAME: 6-fluoranyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
MOLECULAR FORMULA: C10H10FNO
MOLECULAR WEIGHT: 179.190903
SMILES: C1CC2=C(C=CC=C2F)NC(=O)C1
Structure:
CAS RN: 112727-79-4
CAS Name: 4-(4-sulfoanilino)benzenesulfonic acid
OPENEYE Name: 4-(4-sulfoanilino)benzenesulfonic acid
IUPAC Name: 4-(4-sulfoanilino)benzenesulfonic acid
SYSTEMATIC NAME: 4-[(4-sulfophenyl)amino]benzenesulfonic acid
MOLECULAR FORMULA: C12H11NO6S2
MOLECULAR WEIGHT: 329.34884
SMILES: C1=CC(=CC=C1NC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 109957-97-3
CAS Name: 2-chloro-1-fluoro-3-(trifluoromethyl)benzene
OPENEYE Name: 2-chloro-1-fluoro-3-(trifluoromethyl)benzene
IUPAC Name: 2-chloro-1-fluoro-3-(trifluoromethyl)benzene
SYSTEMATIC NAME: 2-chloranyl-1-fluoranyl-3-(trifluoromethyl)benzene
MOLECULAR FORMULA: C7H3ClF4
MOLECULAR WEIGHT: 198.545333
SMILES: C1=CC(=C(C(=C1)F)Cl)C(F)(F)F
Structure:
CAS RN: 142492-01-1
CAS Name: 2,2-difluoro-N-methoxy-N-methylacetamide
OPENEYE Name: 2,2-difluoro-N-methoxy-N-methyl-acetamide
IUPAC Name: 2,2-difluoro-N-methoxy-N-methylacetamide
SYSTEMATIC NAME: 2,2-bis(fluoranyl)-N-methoxy-N-methyl-ethanamide
MOLECULAR FORMULA: C4H7F2NO2
MOLECULAR WEIGHT: 139.100686
SMILES: CN(C(=O)C(F)F)OC
Structure:
CAS RN: 18412-81-2
CAS Name: dodecyl(dimethyl)sulfonium iodide
OPENEYE Name: dodecyl(dimethyl)sulfonium iodide
IUPAC Name: dodecyl(dimethyl)sulfanium iodide
SYSTEMATIC NAME: dodecyl(dimethyl)sulfanium iodide
MOLECULAR FORMULA: C14H31IS
MOLECULAR WEIGHT: 358.36541
SMILES: CCCCCCCCCCCC[S+](C)C.[I-]
Structure:
CAS RN: 927802-38-8
CAS Name: 1-(2-methoxyethyl)-1,4-diazepane
OPENEYE Name: 1-(2-methoxyethyl)-1,4-diazepane
IUPAC Name: 1-(2-methoxyethyl)-1,4-diazepane
SYSTEMATIC NAME: 1-(2-methoxyethyl)-1,4-diazepane
MOLECULAR FORMULA: C8H18N2O
MOLECULAR WEIGHT: 158.24132
SMILES: COCCN1CCCNCC1
Structure:
CAS RN: 15807-67-7
CAS Name: potassium 4-(4-sulfonatophenyl)benzenesulfonate
OPENEYE Name: potassium 4-(4-sulfonatophenyl)benzenesulfonate
IUPAC Name: potassium 4-(4-sulfonatophenyl)benzenesulfonate
SYSTEMATIC NAME: potassium 4-(4-sulfonatophenyl)benzenesulfonate
MOLECULAR FORMULA: C12H8KO6S2-
MOLECULAR WEIGHT: 351.41662
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+]
Structure:
CAS RN: 84477-93-0
CAS Name: N-(2-amino-2-phenylethyl)carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-(2-amino-2-phenyl-ethyl)carbamate
IUPAC Name: benzyl N-(2-amino-2-phenylethyl)carbamate
SYSTEMATIC NAME: (phenylmethyl) N-(2-azanyl-2-phenyl-ethyl)carbamate
MOLECULAR FORMULA: C16H18N2O2
MOLECULAR WEIGHT: 270.32632
SMILES: C1=CC=C(C=C1)COC(=O)NCC(C2=CC=CC=C2)N
Structure:
CAS RN: 16922-07-9
CAS Name: terbium(3+) triacetate hydrate
OPENEYE Name: terbium(3+) triacetate hydrate
IUPAC Name: terbium(3+) triacetate hydrate
SYSTEMATIC NAME: terbium(3+) triethanoate hydrate
MOLECULAR FORMULA: C6H11O7Tb
MOLECULAR WEIGHT: 354.07268
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.[Tb+3]
Structure:
CAS RN: 136364-60-8
CAS Name: 1,2,4-trifluoro-5-(trichloromethyl)benzene
OPENEYE Name: 1,2,4-trifluoro-5-(trichloromethyl)benzene
IUPAC Name: 1,2,4-trifluoro-5-(trichloromethyl)benzene
SYSTEMATIC NAME: 1,2,4-tris(fluoranyl)-5-(trichloromethyl)benzene
MOLECULAR FORMULA: C7H2Cl3F3
MOLECULAR WEIGHT: 249.44499
SMILES: C1=C(C(=CC(=C1F)F)F)C(Cl)(Cl)Cl
Structure:
CAS RN: 56672-63-0
CAS Name: 5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoic acid hydrochloride
OPENEYE Name: 2-(benzyloxycarbonylamino)-5-guanidino-pentanoic acid hydrochloride
IUPAC Name: 5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoic acid hydrochloride
SYSTEMATIC NAME: 5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoic acid hydrochloride
MOLECULAR FORMULA: C14H21ClN4O4
MOLECULAR WEIGHT: 344.79394
SMILES: C1=CC=C(C=C1)COC(=O)NC(CCCN=C(N)N)C(=O)O.Cl
Structure:
CAS RN: 12009-17-5
CAS Name: barium(2+); oxygen(2-); ruthenium(4+)
OPENEYE Name: barium(2+); oxygen(2-); ruthenium(4+)
IUPAC Name: barium(2+); oxygen(2-); ruthenium(4+)
SYSTEMATIC NAME: barium(2+); oxygen(2-); ruthenium(4+)
MOLECULAR FORMULA: BaO3Ru
MOLECULAR WEIGHT: 286.3952
SMILES: [O-2].[O-2].[O-2].[Ru+4].[Ba+2]
Structure:
CAS RN: 112809-25-3
CAS Name: 4-(1H-1,2,4-triazol-5-ylmethyl)benzonitrile
OPENEYE Name: 4-(1H-1,2,4-triazol-5-ylmethyl)benzonitrile
IUPAC Name: 4-(1H-1,2,4-triazol-5-ylmethyl)benzonitrile
SYSTEMATIC NAME: 4-(1H-1,2,4-triazol-5-ylmethyl)benzenecarbonitrile
MOLECULAR FORMULA: C10H8N4
MOLECULAR WEIGHT: 184.19732
SMILES: C1=CC(=CC=C1CC2=NC=NN2)C#N
Structure:
CAS RN: 71672-87-2
CAS Name: 4-cyclohexylbutanoate; iron(3+)
OPENEYE Name: ferric 4-cyclohexylbutanoate
IUPAC Name: 4-cyclohexylbutanoate; iron(3+)
SYSTEMATIC NAME: 4-cyclohexylbutanoate; iron(3+)
MOLECULAR FORMULA: C30H51FeO6
MOLECULAR WEIGHT: 563.56734
SMILES: C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Fe+3]
Structure:
CAS RN: 93857-09-1
CAS Name: 2-aminoethanol; hexyl dihydrogen phosphate
OPENEYE Name: 2-aminoethanol; hexyl dihydrogen phosphate
IUPAC Name: 2-aminoethanol; hexyl dihydrogen phosphate
SYSTEMATIC NAME: 2-azanylethanol; hexyl dihydrogen phosphate
MOLECULAR FORMULA: C8H22NO5P
MOLECULAR WEIGHT: 243.237741
SMILES: CCCCCCOP(=O)(O)O.C(CO)N
Structure:
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