CAS RN: 993-53-3
CAS Name: 3,4,4-trimethyl-1-pentyn-3-ol
OPENEYE Name: 3,4,4-trimethylpent-1-yn-3-ol
IUPAC Name: 3,4,4-trimethylpent-1-yn-3-ol
SYSTEMATIC NAME: 3,4,4-trimethylpent-1-yn-3-ol
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CC(C)(C)C(C)(C#C)O
Structure:
CAS RN: 993-46-4
CAS Name: trimethyl-(methylthio)stannane
OPENEYE Name: trimethyl(methylsulfanyl)stannane
IUPAC Name: trimethyl(methylsulfanyl)stannane
SYSTEMATIC NAME: trimethyl(methylsulfanyl)stannane
MOLECULAR FORMULA: C4H12SSn
MOLECULAR WEIGHT: 210.91308
SMILES: CS[Sn](C)(C)C
Structure:
CAS RN: 992-79-0
CAS Name: 2,2,4,4,6,6,8,8-octaphenoxy-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene
OPENEYE Name: 2,2,4,4,6,6,8,8-octaphenoxy-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene
IUPAC Name: 2,2,4,4,6,6,8,8-octaphenoxy-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene
SYSTEMATIC NAME: 2,2,4,4,6,6,8,8-octaphenoxy-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene
MOLECULAR FORMULA: C48H40N4O8P4
MOLECULAR WEIGHT: 924.748244
SMILES: C1=CC=C(C=C1)OP2(=NP(=NP(=NP(=N2)(OC3=CC=CC=C3)OC4=CC=CC=C4)(OC5=CC=CC=C5)OC6=CC=CC=C6)(OC7=CC=CC=C7)OC8=CC=CC=C8)OC9=CC=CC=C9
Structure:
CAS RN: 962-16-3
CAS Name: benzenecarboperoxoic acid [oxo(phenoxy)methyl] ester
OPENEYE Name: phenoxycarbonyl benzenecarboperoxoate
IUPAC Name: phenoxycarbonyl benzenecarboperoxoate
SYSTEMATIC NAME: phenoxycarbonyl benzenecarboperoxoate
MOLECULAR FORMULA: C14H10O5
MOLECULAR WEIGHT: 258.2262
SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)OC2=CC=CC=C2
Structure:
CAS RN: 957-13-1
CAS Name: 2,2,4,4,6,6-hexamethoxy-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
OPENEYE Name: 2,2,4,4,6,6-hexamethoxy-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
IUPAC Name: 2,2,4,4,6,6-hexamethoxy-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
SYSTEMATIC NAME: 2,2,4,4,6,6-hexamethoxy-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
MOLECULAR FORMULA: C6H18N3O6P3
MOLECULAR WEIGHT: 321.144903
SMILES: COP1(=NP(=NP(=N1)(OC)OC)(OC)OC)OC
Structure:
CAS RN: 956-84-3
CAS Name: 10b,10c-dimethylpyrene
OPENEYE Name: 10b,10c-dimethylpyrene
IUPAC Name: 10b,10c-dimethylpyrene
SYSTEMATIC NAME: 10b,10c-dimethylpyrene
MOLECULAR FORMULA: C18H16
MOLECULAR WEIGHT: 232.31964
SMILES: CC12C3=CC=C4C1(C(=CC=C4)C=CC2=CC=C3)C
Structure:
CAS RN: 954-81-4
CAS Name: 2-(5-bromopentyl)isoindole-1,3-dione
OPENEYE Name: 2-(5-bromopentyl)isoindoline-1,3-dione
IUPAC Name: 2-(5-bromopentyl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(5-bromanylpentyl)isoindole-1,3-dione
MOLECULAR FORMULA: C13H14BrNO2
MOLECULAR WEIGHT: 296.15976
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCBr
Structure:
CAS RN: 952-80-7
CAS Name: 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene
OPENEYE Name: 1-methyl-2-[2-(o-tolyl)ethyl]benzene
IUPAC Name: 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene
SYSTEMATIC NAME: 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene
MOLECULAR FORMULA: C16H18
MOLECULAR WEIGHT: 210.31412
SMILES: CC1=CC=CC=C1CCC2=CC=CC=C2C
Structure:
CAS RN: 33268-48-3
CAS Name: 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene
OPENEYE Name: 1-methyl-2-[2-(o-tolyl)ethyl]benzene
IUPAC Name: 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene
SYSTEMATIC NAME: 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene
MOLECULAR FORMULA: C16H18
MOLECULAR WEIGHT: 210.31412
SMILES: CC1=CC=CC=C1CCC2=CC=CC=C2C
Structure:
CAS RN: 950-21-0
CAS Name: dispiro[5.1.5^{8}.1^{6}]tetradecane-7,14-dione
OPENEYE Name: dispiro[5.1.5^{8}.1^{6}]tetradecane-7,14-dione
IUPAC Name: dispiro[5.1.5^{8}.1^{6}]tetradecane-7,14-dione
SYSTEMATIC NAME: dispiro[5.1.5^{8}.1^{6}]tetradecane-7,14-dione
MOLECULAR FORMULA: C14H20O2
MOLECULAR WEIGHT: 220.3074
SMILES: C1CCC2(CC1)C(=O)C3(C2=O)CCCCC3
Structure:
CAS RN: 949-41-7
CAS Name: 1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
OPENEYE Name: 1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
IUPAC Name: 1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
SYSTEMATIC NAME: 1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
MOLECULAR FORMULA: C15H12
MOLECULAR WEIGHT: 192.25578
SMILES: C1C2C1C3=CC=CC=C3C4=CC=CC=C24
Structure:
CAS RN: 949-03-1
CAS Name: 4-nitrobenzoic acid 2-chloroethyl ester
OPENEYE Name: 2-chloroethyl 4-nitrobenzoate
IUPAC Name: 2-chloroethyl 4-nitrobenzoate
SYSTEMATIC NAME: 2-chloroethyl 4-nitrobenzoate
MOLECULAR FORMULA: C9H8ClNO4
MOLECULAR WEIGHT: 229.61712
SMILES: C1=CC(=CC=C1C(=O)OCCCl)[N+](=O)[O-]
Structure:
CAS RN: 947-82-0
CAS Name: 4,4,5-trimethyl-2-phenyl-3-pyrazolone
OPENEYE Name: 4,4,5-trimethyl-2-phenyl-pyrazol-3-one
IUPAC Name: 4,4,5-trimethyl-2-phenylpyrazol-3-one
SYSTEMATIC NAME: 4,4,5-trimethyl-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: CC1=NN(C(=O)C1(C)C)C2=CC=CC=C2
Structure:
CAS RN: 947-58-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H14O2
MOLECULAR WEIGHT: 202.24906
SMILES: COC1=C2C3CC(C2=C(C=C1)OC)C=C3
Structure:
CAS RN: 947-57-9
CAS Name: bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
IUPAC Name: dimethyl bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
SYSTEMATIC NAME: dimethyl bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: COC(=O)C1=C(C2CC1C=C2)C(=O)OC
Structure:
CAS RN: 946-89-4
CAS Name: cyclododecanone oxime
OPENEYE Name: cyclododecanone oxime
IUPAC Name: N-cyclododecylidenehydroxylamine
SYSTEMATIC NAME: N-cyclododecylidenehydroxylamine
MOLECULAR FORMULA: C12H23NO
MOLECULAR WEIGHT: 197.31712
SMILES: C1CCCCCC(=NO)CCCCC1
Structure:
CAS RN: 946-02-1
CAS Name: benzoic acid 4-chlorobutyl ester
OPENEYE Name: 4-chlorobutyl benzoate
IUPAC Name: 4-chlorobutyl benzoate
SYSTEMATIC NAME: 4-chloranylbutyl benzoate
MOLECULAR FORMULA: C11H13ClO2
MOLECULAR WEIGHT: 212.67272
SMILES: C1=CC=C(C=C1)C(=O)OCCCCCl
Structure:
CAS RN: 944-85-4
CAS Name: trimethyl(1-naphthalenyl)stannane
OPENEYE Name: trimethyl(1-naphthyl)stannane
IUPAC Name: trimethyl(naphthalen-1-yl)stannane
SYSTEMATIC NAME: trimethyl(naphthalen-1-yl)stannane
MOLECULAR FORMULA: C13H16Sn
MOLECULAR WEIGHT: 290.97614
SMILES: C[Sn](C)(C)C1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 943-28-2
CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid
OPENEYE Name: 4-tert-butylcyclohexanecarboxylic acid
IUPAC Name: 4-tert-butylcyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-tert-butylcyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CC(C)(C)C1CCC(CC1)C(=O)O
Structure:
CAS RN: 5451-55-8
CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid
OPENEYE Name: 4-tert-butylcyclohexanecarboxylic acid
IUPAC Name: 4-tert-butylcyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-tert-butylcyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CC(C)(C)C1CCC(CC1)C(=O)O
Structure:
CAS RN: 943-29-3
CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid
OPENEYE Name: 4-tert-butylcyclohexanecarboxylic acid
IUPAC Name: 4-tert-butylcyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-tert-butylcyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CC(C)(C)C1CCC(CC1)C(=O)O
Structure:
CAS RN: 940-76-1
CAS Name: 1-fluoro-4-(trifluoromethylthio)benzene
OPENEYE Name: 1-fluoro-4-(trifluoromethylsulfanyl)benzene
IUPAC Name: 1-fluoro-4-(trifluoromethylsulfanyl)benzene
SYSTEMATIC NAME: 1-fluoranyl-4-(trifluoromethylsulfanyl)benzene
MOLECULAR FORMULA: C7H4F4S
MOLECULAR WEIGHT: 196.165273
SMILES: C1=CC(=CC=C1F)SC(F)(F)F
Structure:
CAS RN: 1202-22-8
CAS Name: 6-chloro-N2,N2,N4,N4-tetramethylpyrimidine-2,4-diamine
OPENEYE Name: 6-chloro-N2,N2,N4,N4-tetramethyl-pyrimidine-2,4-diamine
IUPAC Name: 6-chloro-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-chloranyl-N2,N2,N4,N4-tetramethyl-pyrimidine-2,4-diamine
MOLECULAR FORMULA: C8H13ClN4
MOLECULAR WEIGHT: 200.66862
SMILES: CN(C)C1=CC(=NC(=N1)N(C)C)Cl
Structure:
CAS RN: 940-73-8
CAS Name: 1-methyl-4-(2,2,2-trideuterioethyl)benzene
OPENEYE Name: 1-methyl-4-(2,2,2-trideuterioethyl)benzene
IUPAC Name: 1-methyl-4-(2,2,2-trideuterioethyl)benzene
SYSTEMATIC NAME: 1-methyl-4-(2,2,2-trideuterioethyl)benzene
MOLECULAR FORMULA: C9H12
MOLECULAR WEIGHT: 123.210065
SMILES: [2H]C([2H])([2H])CC1=CC=C(C=C1)C
Structure:
CAS RN: 939-98-0
CAS Name: 1-ethyl-4-(trideuteriomethyl)benzene
OPENEYE Name: 1-ethyl-4-(trideuteriomethyl)benzene
IUPAC Name: 1-ethyl-4-(trideuteriomethyl)benzene
SYSTEMATIC NAME: 1-ethyl-4-(trideuteriomethyl)benzene
MOLECULAR FORMULA: C9H12
MOLECULAR WEIGHT: 123.210065
SMILES: [2H]C([2H])([2H])C1=CC=C(C=C1)CC
Structure:
CAS RN: 937-31-5
CAS Name: 1-ethynyl-4-nitrobenzene
OPENEYE Name: 1-ethynyl-4-nitro-benzene
IUPAC Name: 1-ethynyl-4-nitrobenzene
SYSTEMATIC NAME: 1-ethynyl-4-nitro-benzene
MOLECULAR FORMULA: C8H5NO2
MOLECULAR WEIGHT: 147.1308
SMILES: C#CC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 937-00-8
CAS Name: 3-(trifluoromethyl)benzenethiol
OPENEYE Name: 3-(trifluoromethyl)benzenethiol
IUPAC Name: 3-(trifluoromethyl)benzenethiol
SYSTEMATIC NAME: 3-(trifluoromethyl)benzenethiol
MOLECULAR FORMULA: C7H5F3S
MOLECULAR WEIGHT: 178.17481
SMILES: C1=CC(=CC(=C1)S)C(F)(F)F
Structure:
CAS RN: 936-99-2
CAS Name: 3-tert-butyl-1-cyclohexanone
OPENEYE Name: 3-tert-butylcyclohexanone
IUPAC Name: 3-tert-butylcyclohexan-1-one
SYSTEMATIC NAME: 3-tert-butylcyclohexan-1-one
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC(C)(C)C1CCCC(=O)C1
Structure:
CAS RN: 936-72-1
CAS Name: 1-methyl-2-prop-2-enoxybenzene
OPENEYE Name: 1-allyloxy-2-methyl-benzene
IUPAC Name: 1-methyl-2-prop-2-enoxybenzene
SYSTEMATIC NAME: 1-methyl-2-prop-2-enoxy-benzene
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: CC1=CC=CC=C1OCC=C
Structure:
CAS RN: 936-46-9
CAS Name: 4-phenylisothiazole
OPENEYE Name: 4-phenylisothiazole
IUPAC Name: 4-phenyl-1,2-thiazole
SYSTEMATIC NAME: 4-phenyl-1,2-thiazole
MOLECULAR FORMULA: C9H7NS
MOLECULAR WEIGHT: 161.22358
SMILES: C1=CC=C(C=C1)C2=CSN=C2
Structure:
CAS RN: 936-12-9
CAS Name: 2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-methyl-1H-pyrrole-3-carboxylate
IUPAC Name: ethyl 2-methyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 2-methyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C8H11NO2
MOLECULAR WEIGHT: 153.17844
SMILES: CCOC(=O)C1=C(NC=C1)C
Structure:
CAS RN: 935-64-8
CAS Name: 1-phenyl-1-cyclobutanol
OPENEYE Name: 1-phenylcyclobutanol
IUPAC Name: 1-phenylcyclobutan-1-ol
SYSTEMATIC NAME: 1-phenylcyclobutan-1-ol
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: C1CC(C1)(C2=CC=CC=C2)O
Structure:
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