CAS RN: 380631-18-5
CAS Name: 7-tert-butyl-3-iodo-4,5-dioxo-6-phenyl-2-pyrano[3,2-c]pyridinolate
OPENEYE Name: 7-tert-butyl-3-iodo-4,5-dioxo-6-phenyl-pyrano[3,2-c]pyridin-2-olate
IUPAC Name: 7-tert-butyl-3-iodo-4,5-dioxo-6-phenylpyrano[3,2-c]pyridin-2-olate
SYSTEMATIC NAME: 7-tert-butyl-3-iodanyl-4,5-bis(oxidanylidene)-6-phenyl-pyrano[3,2-c]pyridin-2-olate
MOLECULAR FORMULA: C18H15INO4-
MOLECULAR WEIGHT: 436.22047
SMILES: CC(C)(C)C1=CC2=C(C(=O)C(=C(O2)[O-])I)C(=O)N1C3=CC=CC=C3
CAS RN: 380631-04-9
CAS Name: 3-iodo-4,5-dioxo-6-phenyl-7-propan-2-yl-2-pyrano[3,2-c]pyridinolate
OPENEYE Name: 3-iodo-7-isopropyl-4,5-dioxo-6-phenyl-pyrano[3,2-c]pyridin-2-olate
IUPAC Name: 3-iodo-4,5-dioxo-6-phenyl-7-propan-2-ylpyrano[3,2-c]pyridin-2-olate
SYSTEMATIC NAME: 3-iodanyl-4,5-bis(oxidanylidene)-6-phenyl-7-propan-2-yl-pyrano[3,2-c]pyridin-2-olate
MOLECULAR FORMULA: C17H13INO4-
MOLECULAR WEIGHT: 422.19389
SMILES: CC(C)C1=CC2=C(C(=O)C(=C(O2)[O-])I)C(=O)N1C3=CC=CC=C3
CAS RN: 274691-31-5
CAS Name: 10,10-dimethyl-8-oxo-7-phenyl-6-pyrido[1,2-a]indololate
OPENEYE Name: 10,10-dimethyl-8-oxo-7-phenyl-pyrido[1,2-a]indol-6-olate
IUPAC Name: 10,10-dimethyl-8-oxo-7-phenylpyrido[1,2-a]indol-6-olate
SYSTEMATIC NAME: 10,10-dimethyl-8-oxidanylidene-7-phenyl-pyrido[1,2-a]indol-6-olate
MOLECULAR FORMULA: C20H16NO2-
MOLECULAR WEIGHT: 302.34654
SMILES: CC1(C2=CC=CC=C2N3C1=CC(=O)C(=C3[O-])C4=CC=CC=C4)C
CAS RN: 16560-37-5
CAS Name: 4-oxo-1-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-olate
OPENEYE Name: 4-oxo-1-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-olate
IUPAC Name: 4-oxo-1-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-olate
SYSTEMATIC NAME: 4-oxidanylidene-1-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-olate
MOLECULAR FORMULA: C16H16NO2-
MOLECULAR WEIGHT: 254.30374
SMILES: C1CCC2=C(CC1)N(C(=CC2=O)[O-])C3=CC=CC=C3
CAS RN: 18706-21-3
CAS Name: 6-chloro-2-(trifluoromethyl)-4-quinolinolate
OPENEYE Name: 6-chloro-2-(trifluoromethyl)quinolin-4-olate
IUPAC Name: 6-chloro-2-(trifluoromethyl)quinolin-4-olate
SYSTEMATIC NAME: 6-chloranyl-2-(trifluoromethyl)quinolin-4-olate
MOLECULAR FORMULA: C10H4ClF3NO-
MOLECULAR WEIGHT: 246.59307
SMILES: C1=CC2=C(C=C1Cl)C(=CC(=N2)C(F)(F)F)[O-]
CAS RN: 31408-24-9
CAS Name: 5-(4-chlorophenyl)-2-pyrimidinethiolate
OPENEYE Name: 5-(4-chlorophenyl)pyrimidine-2-thiolate
IUPAC Name: 5-(4-chlorophenyl)pyrimidine-2-thiolate
SYSTEMATIC NAME: 5-(4-chlorophenyl)pyrimidine-2-thiolate
MOLECULAR FORMULA: C10H6ClN2S-
MOLECULAR WEIGHT: 221.68604
SMILES: C1=CC(=CC=C1C2=CN=C(N=C2)[S-])Cl
CAS RN: 300665-11-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H12ClNO2
MOLECULAR WEIGHT: 345.77848
SMILES: C1=CC=C(C=C1)[C@]2(C(=O)C3=CC=CC4=C3N(C2=O)C5=CC=CC=C45)Cl
CAS RN: 685888-95-3
CAS Name: 5-chloro-3-ethyl-4-oxo-1,6-diphenyl-2-pyridinolate
OPENEYE Name: 5-chloro-3-ethyl-4-oxo-1,6-diphenyl-pyridin-2-olate
IUPAC Name: 5-chloro-3-ethyl-4-oxo-1,6-diphenylpyridin-2-olate
SYSTEMATIC NAME: 5-chloranyl-3-ethyl-4-oxidanylidene-1,6-diphenyl-pyridin-2-olate
MOLECULAR FORMULA: C19H15ClNO2-
MOLECULAR WEIGHT: 324.7809
SMILES: CCC1=C(N(C(=C(C1=O)Cl)C2=CC=CC=C2)C3=CC=CC=C3)[O-]
CAS RN: 119408-32-1
CAS Name: 3-hydroxy-4-oxo-2-(phenylmethyl)-1-phenalenolate
OPENEYE Name: 2-benzyl-3-hydroxy-4-oxo-phenalen-1-olate
IUPAC Name: 2-benzyl-3-hydroxy-4-oxophenalen-1-olate
SYSTEMATIC NAME: 3-oxidanyl-4-oxidanylidene-2-(phenylmethyl)phenalen-1-olate
MOLECULAR FORMULA: C20H13O3-
MOLECULAR WEIGHT: 301.31542
SMILES: C1=CC=C(C=C1)CC2=C(C3=C4C(=CC=C3)C=CC(=O)C4=C2O)[O-]
CAS RN: 93738-66-0
CAS Name: 1,3,8-trimethyl-2,4,5-trioxo-7-pyrido[2,3-d]pyrimidinolate
OPENEYE Name: 1,3,8-trimethyl-2,4,5-trioxo-pyrido[2,3-d]pyrimidin-7-olate
IUPAC Name: 1,3,8-trimethyl-2,4,5-trioxopyrido[2,3-d]pyrimidin-7-olate
SYSTEMATIC NAME: 1,3,8-trimethyl-2,4,5-tris(oxidanylidene)pyrido[2,3-d]pyrimidin-7-olate
MOLECULAR FORMULA: C10H10N3O4-
MOLECULAR WEIGHT: 236.2041
SMILES: CN1C(=CC(=O)C2=C1N(C(=O)N(C2=O)C)C)[O-]
CAS RN: 18706-22-4
CAS Name: 8-chloro-2-(trifluoromethyl)-4-quinolinolate
OPENEYE Name: 8-chloro-2-(trifluoromethyl)quinolin-4-olate
IUPAC Name: 8-chloro-2-(trifluoromethyl)quinolin-4-olate
SYSTEMATIC NAME: 8-chloranyl-2-(trifluoromethyl)quinolin-4-olate
MOLECULAR FORMULA: C10H4ClF3NO-
MOLECULAR WEIGHT: 246.59307
SMILES: C1=CC2=C(C(=C1)Cl)N=C(C=C2[O-])C(F)(F)F
CAS RN: 31009-31-1
CAS Name: 8-fluoro-2-(trifluoromethyl)-4-quinolinolate
OPENEYE Name: 8-fluoro-2-(trifluoromethyl)quinolin-4-olate
IUPAC Name: 8-fluoro-2-(trifluoromethyl)quinolin-4-olate
SYSTEMATIC NAME: 8-fluoranyl-2-(trifluoromethyl)quinolin-4-olate
MOLECULAR FORMULA: C10H4F4NO-
MOLECULAR WEIGHT: 230.138473
SMILES: C1=CC2=C(C(=C1)F)N=C(C=C2[O-])C(F)(F)F
CAS RN: 121582-92-1
CAS Name: 6-(hydrazinecarbonyl)-5-oxo-2-phenyl-3-pyridazinolate
OPENEYE Name: 6-(hydrazinecarbonyl)-5-oxo-2-phenyl-pyridazin-3-olate
IUPAC Name: 6-(hydrazinecarbonyl)-5-oxo-2-phenylpyridazin-3-olate
SYSTEMATIC NAME: 6-(aminocarbamoyl)-5-oxidanylidene-2-phenyl-pyridazin-3-olate
MOLECULAR FORMULA: C11H9N4O3-
MOLECULAR WEIGHT: 245.21416
SMILES: C1=CC=C(C=C1)N2C(=CC(=O)C(=N2)C(=O)NN)[O-]
CAS RN: 60227-69-2
CAS Name: 5-methyl-4-oxo-1,6-diphenyl-2-pyridinolate
OPENEYE Name: 5-methyl-4-oxo-1,6-diphenyl-pyridin-2-olate
IUPAC Name: 5-methyl-4-oxo-1,6-diphenylpyridin-2-olate
SYSTEMATIC NAME: 5-methyl-4-oxidanylidene-1,6-diphenyl-pyridin-2-olate
MOLECULAR FORMULA: C18H14NO2-
MOLECULAR WEIGHT: 276.30926
SMILES: CC1=C(N(C(=CC1=O)[O-])C2=CC=CC=C2)C3=CC=CC=C3
CAS RN: 685889-09-2
CAS Name: 5-methyl-4-oxo-1,6-diphenyl-3-propan-2-yl-2-pyridinolate
OPENEYE Name: 3-isopropyl-5-methyl-4-oxo-1,6-diphenyl-pyridin-2-olate
IUPAC Name: 5-methyl-4-oxo-1,6-diphenyl-3-propan-2-ylpyridin-2-olate
SYSTEMATIC NAME: 5-methyl-4-oxidanylidene-1,6-diphenyl-3-propan-2-yl-pyridin-2-olate
MOLECULAR FORMULA: C21H20NO2-
MOLECULAR WEIGHT: 318.389
SMILES: CC1=C(N(C(=C(C1=O)C(C)C)[O-])C2=CC=CC=C2)C3=CC=CC=C3
CAS RN: 103858-54-4
CAS Name: 5-bromo-1H-indole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-bromo-1H-indole-3-carboxylate
IUPAC Name: ethyl 5-bromo-1H-indole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-bromanyl-1H-indole-3-carboxylate
MOLECULAR FORMULA: C11H10BrNO2
MOLECULAR WEIGHT: 268.1066
SMILES: CCOC(=O)C1=CNC2=C1C=C(C=C2)Br
CAS RN: 50815-87-7
CAS Name: sodium borate silicate
OPENEYE Name: sodium borate silicate
IUPAC Name: sodium borate silicate
SYSTEMATIC NAME: sodium borate silicate
MOLECULAR FORMULA: BNaO7Si-6
MOLECULAR WEIGHT: 173.88207
SMILES: B([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Na+]
CAS RN: 76619-72-2
CAS Name: 3-heptadecylbenzene-1,2-diol diacetate
OPENEYE Name: 3-heptadecylbenzene-1,2-diol diacetate
IUPAC Name: 3-heptadecylbenzene-1,2-diol diacetate
SYSTEMATIC NAME: 3-heptadecylbenzene-1,2-diol diethanoate
MOLECULAR FORMULA: C27H46O6-2
MOLECULAR WEIGHT: 466.65054
SMILES: CCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)O.CC(=O)[O-].CC(=O)[O-]
CAS RN: 32458-56-3
CAS Name: 2-[[amino(methylimino)methyl]thio]oxyethyl-trimethylammonium
OPENEYE Name: trimethyl-[2-(N'-methylcarbamimidoyl)sulfanyloxyethyl]ammonium
IUPAC Name: trimethyl-[2-(N'-methylcarbamimidoyl)sulfanyloxyethyl]azanium
SYSTEMATIC NAME: trimethyl-[2-(N'-methylcarbamimidoyl)sulfanyloxyethyl]azanium
MOLECULAR FORMULA: C7H18N3OS+
MOLECULAR WEIGHT: 192.30232
SMILES: CN=C(N)SOCC[N+](C)(C)C
CAS RN: 24271-16-7
CAS Name: 4-(2-methylundecan-2-yl)benzenesulfonic acid
OPENEYE Name: 4-(1,1-dimethyldecyl)benzenesulfonic acid
IUPAC Name: 4-(2-methylundecan-2-yl)benzenesulfonic acid
SYSTEMATIC NAME: 4-(2-methylundecan-2-yl)benzenesulfonic acid
MOLECULAR FORMULA: C18H30O3S
MOLECULAR WEIGHT: 326.494
SMILES: CCCCCCCCCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)O
CAS RN: 33025-70-6
CAS Name: 1,1,10,10-tetrachlorodecane
OPENEYE Name: 1,1,10,10-tetrachlorodecane
IUPAC Name: 1,1,10,10-tetrachlorodecane
SYSTEMATIC NAME: 1,1,10,10-tetrakis(chloranyl)decane
MOLECULAR FORMULA: C10H18Cl4
MOLECULAR WEIGHT: 280.06192
SMILES: C(CCCCC(Cl)Cl)CCCC(Cl)Cl
CAS RN: 104512-10-9
CAS Name: 1-propylacridine
OPENEYE Name: 1-propylacridine
IUPAC Name: 1-propylacridine
SYSTEMATIC NAME: 1-propylacridine
MOLECULAR FORMULA: C16H15N
MOLECULAR WEIGHT: 221.297
SMILES: CCCC1=CC=CC2=NC3=CC=CC=C3C=C21
CAS RN: 35022-18-5
CAS Name: 1-[4-(1-pyrrolidinyl)but-2-ynyl]-2-pyrrolidinethione
OPENEYE Name: 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidine-2-thione
IUPAC Name: 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidine-2-thione
SYSTEMATIC NAME: 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidine-2-thione
MOLECULAR FORMULA: C12H18N2S
MOLECULAR WEIGHT: 222.34972
SMILES: C1CCN(C1)CC#CCN2CCCC2=S
CAS RN: 116211-98-4
CAS Name: 1-nitro-2-phenanthrenol
OPENEYE Name: 1-nitrophenanthren-2-ol
IUPAC Name: 1-nitrophenanthren-2-ol
SYSTEMATIC NAME: 1-nitrophenanthren-2-ol
MOLECULAR FORMULA: C14H9NO3
MOLECULAR WEIGHT: 239.22616
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3[N+](=O)[O-])O
CAS RN: 108548-72-7
CAS Name: 2-chlorobenzoic acid (2,3-dichlorophenyl)methyl ester
OPENEYE Name: (2,3-dichlorophenyl)methyl 2-chlorobenzoate
IUPAC Name: (2,3-dichlorophenyl)methyl 2-chlorobenzoate
SYSTEMATIC NAME: [2,3-bis(chloranyl)phenyl]methyl 2-chloranylbenzoate
MOLECULAR FORMULA: C14H9Cl3O2
MOLECULAR WEIGHT: 315.57906
SMILES: C1=CC=C(C(=C1)C(=O)OCC2=C(C(=CC=C2)Cl)Cl)Cl
CAS RN: 108548-68-1
CAS Name: 3-(hydroxymethoxy)benzoic acid
OPENEYE Name: 3-(hydroxymethoxy)benzoic acid
IUPAC Name: 3-(hydroxymethoxy)benzoic acid
SYSTEMATIC NAME: 3-(hydroxymethyloxy)benzoic acid
MOLECULAR FORMULA: C8H8O4
MOLECULAR WEIGHT: 168.14672
SMILES: C1=CC(=CC(=C1)OCO)C(=O)O
CAS RN: 83542-76-1
CAS Name: 2-methyl-N-phenyl-3-furanamine
OPENEYE Name: 2-methyl-N-phenyl-furan-3-amine
IUPAC Name: 2-methyl-N-phenylfuran-3-amine
SYSTEMATIC NAME: 2-methyl-N-phenyl-furan-3-amine
MOLECULAR FORMULA: C11H11NO
MOLECULAR WEIGHT: 173.21114
SMILES: CC1=C(C=CO1)NC2=CC=CC=C2
CAS RN: 94751-62-9
CAS Name: 2-nitroso-4-isothiazolidinecarboxylic acid
OPENEYE Name: 2-nitrosoisothiazolidine-4-carboxylic acid
IUPAC Name: 2-nitroso-1,2-thiazolidine-4-carboxylic acid
SYSTEMATIC NAME: 2-nitroso-1,2-thiazolidine-4-carboxylic acid
MOLECULAR FORMULA: C4H6N2O3S
MOLECULAR WEIGHT: 162.16704
SMILES: C1C(CSN1N=O)C(=O)O
CAS RN: 112022-18-1
CAS Name: N-[2-(dimethylamino)ethyl]-8-quinolinecarboxamide dihydrochloride
OPENEYE Name: N-[2-(dimethylamino)ethyl]quinoline-8-carboxamide dihydrochloride
IUPAC Name: N-[2-(dimethylamino)ethyl]quinoline-8-carboxamide dihydrochloride
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]quinoline-8-carboxamide dihydrochloride
MOLECULAR FORMULA: C14H19Cl2N3O
MOLECULAR WEIGHT: 316.22616
SMILES: CN(C)CCNC(=O)C1=CC=CC2=C1N=CC=C2.Cl.Cl
CAS RN: 106939-96-2
CAS Name: 4-formylbenzenesulfonic acid phenyl ester
OPENEYE Name: phenyl 4-formylbenzenesulfonate
IUPAC Name: phenyl 4-formylbenzenesulfonate
SYSTEMATIC NAME: phenyl 4-methanoylbenzenesulfonate
MOLECULAR FORMULA: C13H10O4S
MOLECULAR WEIGHT: 262.2811
SMILES: C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C=O
CAS RN: 122751-72-8
CAS Name: 3-hydroxydotriacontanoic acid
OPENEYE Name: 3-hydroxydotriacontanoic acid
IUPAC Name: 3-hydroxydotriacontanoic acid
SYSTEMATIC NAME: 3-oxidanyldotriacontanoic acid
MOLECULAR FORMULA: C32H64O3
MOLECULAR WEIGHT: 496.84876
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(CC(=O)O)O
CAS RN: 102129-19-1
CAS Name: potassium 4-butyl-1,2-diphenylpyrazolidine-3,5-dione
OPENEYE Name: potassium 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione
IUPAC Name: potassium 4-butyl-1,2-diphenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: potassium 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C19H20KN2O2+
MOLECULAR WEIGHT: 347.4726
SMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.[K+]
CAS RN: 14682-67-8
CAS Name: phosphorus-30
OPENEYE Name: phosphorus-30
IUPAC Name: phosphorus-30
SYSTEMATIC NAME: phosphorus-30
MOLECULAR FORMULA: P
MOLECULAR WEIGHT: 29.978314
SMILES: [30P]
CAS RN: 13994-71-3
CAS Name: argon-37
OPENEYE Name: argon-37
IUPAC Name: argon-37
SYSTEMATIC NAME: argon-37
MOLECULAR FORMULA: Ar
MOLECULAR WEIGHT: 36.966776
SMILES: [37Ar]
CAS RN: 86854-04-8
CAS Name: 13-indeno[2,1-a]anthracenone
OPENEYE Name: indeno[2,1-a]anthracen-13-one
IUPAC Name: indeno[2,1-a]anthracen-13-one
SYSTEMATIC NAME: indeno[2,1-a]anthracen-13-one
MOLECULAR FORMULA: C21H12O
MOLECULAR WEIGHT: 280.31938
SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C(=O)C5=CC=CC=C45
CAS RN: 103339-62-4
CAS Name: 3-chlorocyclopent-3-ene-1,2-dione
OPENEYE Name: 3-chlorocyclopent-3-ene-1,2-dione
IUPAC Name: 3-chlorocyclopent-3-ene-1,2-dione
SYSTEMATIC NAME: 3-chloranylcyclopent-3-ene-1,2-dione
MOLECULAR FORMULA: C5H3ClO2
MOLECULAR WEIGHT: 130.52912
SMILES: C1C=C(C(=O)C1=O)Cl
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