CAS RN: 89353-64-0
CAS Name: 2-(2-methoxycarbonyl-3-pyridinyl)acetate
OPENEYE Name: 2-(2-methoxycarbonyl-3-pyridyl)acetate
IUPAC Name: 2-(2-methoxycarbonylpyridin-3-yl)acetate
SYSTEMATIC NAME: 2-(2-methoxycarbonylpyridin-3-yl)ethanoate
MOLECULAR FORMULA: C9H8NO4-
MOLECULAR WEIGHT: 194.16412
SMILES: COC(=O)C1=C(C=CC=N1)CC(=O)[O-]
CAS RN: 122751-77-3
CAS Name: 3-hydroxy-15-methylheptadecanoic acid
OPENEYE Name: 3-hydroxy-15-methyl-heptadecanoic acid
IUPAC Name: 3-hydroxy-15-methylheptadecanoic acid
SYSTEMATIC NAME: 15-methyl-3-oxidanyl-heptadecanoic acid
MOLECULAR FORMULA: C18H36O3
MOLECULAR WEIGHT: 300.47664
SMILES: CCC(C)CCCCCCCCCCCC(CC(=O)O)O
CAS RN: 83542-69-2
CAS Name: calcium 4-hydroxybenzoic acid propyl ester
OPENEYE Name: calcium propyl 4-hydroxybenzoate
IUPAC Name: calcium propyl 4-hydroxybenzoate
SYSTEMATIC NAME: calcium propyl 4-oxidanylbenzoate
MOLECULAR FORMULA: C10H12CaO3+2
MOLECULAR WEIGHT: 220.27848
SMILES: CCCOC(=O)C1=CC=C(C=C1)O.[Ca+2]
CAS RN: 84962-79-8
CAS Name: [4-[[4-(diethylamino)phenyl]-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-diethylammonium; 2-hydroxypropanoate
OPENEYE Name: [4-[[4-(diethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium; 2-hydroxypropanoate
IUPAC Name: [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium; 2-hydroxypropanoate
SYSTEMATIC NAME: [4-[[4-(diethylamino)phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-ylidene]-diethyl-azanium; 2-oxidanylpropanoate
MOLECULAR FORMULA: C30H38N2O3
MOLECULAR WEIGHT: 474.63432
SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.CC(C(=O)[O-])O
CAS RN: 23797-84-4
CAS Name: 3,4,5-trimethyldiborin
OPENEYE Name: 3,4,5-trimethyldiborinine
IUPAC Name: 3,4,5-trimethyldiborinine
SYSTEMATIC NAME: 3,4,5-trimethyl-1,2-diborinine
MOLECULAR FORMULA: C7H10B2
MOLECULAR WEIGHT: 115.7763
SMILES: B1=BC(=C(C(=C1)C)C)C
CAS RN: 32534-78-4
CAS Name: 1,1,2,3,4,5,10-heptachlorodecane
OPENEYE Name: 1,1,2,3,4,5,10-heptachlorodecane
IUPAC Name: 1,1,2,3,4,5,10-heptachlorodecane
SYSTEMATIC NAME: 1,1,2,3,4,5,10-heptakis(chloranyl)decane
MOLECULAR FORMULA: C10H15Cl7
MOLECULAR WEIGHT: 383.3971
SMILES: C(CCC(C(C(C(C(Cl)Cl)Cl)Cl)Cl)Cl)CCCl
CAS RN: 108548-71-6
CAS Name: 3,4-dichloro-2,5-dimethoxyphenol
OPENEYE Name: 3,4-dichloro-2,5-dimethoxy-phenol
IUPAC Name: 3,4-dichloro-2,5-dimethoxyphenol
SYSTEMATIC NAME: 3,4-bis(chloranyl)-2,5-dimethoxy-phenol
MOLECULAR FORMULA: C8H8Cl2O3
MOLECULAR WEIGHT: 223.05332
SMILES: COC1=C(C(=C(C(=C1)O)OC)Cl)Cl
CAS RN: 85118-21-4
CAS Name: [2-bromo-4-(trifluoromethyl)phenyl]-(4-fluorophenyl)methanol
OPENEYE Name: [2-bromo-4-(trifluoromethyl)phenyl]-(4-fluorophenyl)methanol
IUPAC Name: [2-bromo-4-(trifluoromethyl)phenyl]-(4-fluorophenyl)methanol
SYSTEMATIC NAME: [2-bromanyl-4-(trifluoromethyl)phenyl]-(4-fluorophenyl)methanol
MOLECULAR FORMULA: C14H9BrF4O
MOLECULAR WEIGHT: 349.118273
SMILES: C1=CC(=CC=C1C(C2=C(C=C(C=C2)C(F)(F)F)Br)O)F
CAS RN: 89365-05-9
CAS Name: pentane-1,2-diol dinitrate
OPENEYE Name: pentane-1,2-diol dinitrate
IUPAC Name: pentane-1,2-diol dinitrate
SYSTEMATIC NAME: pentane-1,2-diol dinitrate
MOLECULAR FORMULA: C5H12N2O8-2
MOLECULAR WEIGHT: 228.15738
SMILES: CCCC(CO)O.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]
CAS RN: 23267-58-5
CAS Name: 1-(8-hydroxy-5-quinolinyl)ethanone sulfate
OPENEYE Name: 1-(8-hydroxy-5-quinolyl)ethanone sulfate
IUPAC Name: 1-(8-hydroxyquinolin-5-yl)ethanone sulfate
SYSTEMATIC NAME: 1-(8-oxidanylquinolin-5-yl)ethanone sulfate
MOLECULAR FORMULA: C11H9NO6S-2
MOLECULAR WEIGHT: 283.25726
SMILES: CC(=O)C1=C2C=CC=NC2=C(C=C1)O.[O-]S(=O)(=O)[O-]
CAS RN: 113282-36-3
CAS Name: bis(4-chloro-2,3-dimethylphenyl) phosphate
OPENEYE Name: bis(4-chloro-2,3-dimethyl-phenyl) phosphate
IUPAC Name: bis(4-chloro-2,3-dimethylphenyl) phosphate
SYSTEMATIC NAME: bis(4-chloranyl-2,3-dimethyl-phenyl) phosphate
MOLECULAR FORMULA: C16H16Cl2O4P-
MOLECULAR WEIGHT: 374.175601
SMILES: CC1=C(C=CC(=C1C)Cl)OP(=O)([O-])OC2=C(C(=C(C=C2)Cl)C)C
CAS RN: 1773-07-5
CAS Name: 2-methylquinoline; 2,4,6-trinitrophenolate
OPENEYE Name: 2-methylquinoline; 2,4,6-trinitrophenolate
IUPAC Name: 2-methylquinoline; 2,4,6-trinitrophenolate
SYSTEMATIC NAME: 2-methylquinoline; 2,4,6-trinitrophenolate
MOLECULAR FORMULA: C16H11N4O7-
MOLECULAR WEIGHT: 371.28114
SMILES: CC1=NC2=CC=CC=C2C=C1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
CAS RN: 122751-76-2
CAS Name: 3-hydroxy-13-methylpentadecanoic acid
OPENEYE Name: 3-hydroxy-13-methyl-pentadecanoic acid
IUPAC Name: 3-hydroxy-13-methylpentadecanoic acid
SYSTEMATIC NAME: 13-methyl-3-oxidanyl-pentadecanoic acid
MOLECULAR FORMULA: C16H32O3
MOLECULAR WEIGHT: 272.42348
SMILES: CCC(C)CCCCCCCCCC(CC(=O)O)O
CAS RN: 88738-63-0
CAS Name: 3-chloro-N,N-dimethyl-4-[(Z)-[[2-(1-naphthalenyl)phenyl]hydrazinylidene]methyl]aniline
OPENEYE Name: 3-chloro-N,N-dimethyl-4-[(Z)-[[2-(1-naphthyl)phenyl]hydrazono]methyl]aniline
IUPAC Name: 3-chloro-N,N-dimethyl-4-[(Z)-[(2-naphthalen-1-ylphenyl)hydrazinylidene]methyl]aniline
SYSTEMATIC NAME: 3-chloranyl-N,N-dimethyl-4-[(Z)-[(2-naphthalen-1-ylphenyl)hydrazinylidene]methyl]aniline
MOLECULAR FORMULA: C25H22ClN3
MOLECULAR WEIGHT: 399.91528
SMILES: CN(C)C1=CC(=C(C=C1)/C=N\NC2=CC=CC=C2C3=CC=CC4=CC=CC=C43)Cl
CAS RN: 28950-63-2
CAS Name: hexasodium 5-[[4,6-bis(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: hexasodium 5-[[4,6-bis(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: hexasodium 5-[[4,6-bis(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: hexasodium 5-[[4,6-bis[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C44H30N12Na6O18S6
MOLECULAR WEIGHT: 1345.10722
SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)[O-])NC7=CC(=CC=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC(=CC=C8)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
CAS RN: 15755-41-6
CAS Name: astatine-215
OPENEYE Name: astatine-215
IUPAC Name: astatine-215
SYSTEMATIC NAME: astatine-215
MOLECULAR FORMULA: At
MOLECULAR WEIGHT: 214.998641
SMILES: [215At]
CAS RN: 72906-43-5
CAS Name: oxomolybdenum hydroxide phosphate
OPENEYE Name: oxomolybdenum hydroxide phosphate
IUPAC Name: oxomolybdenum hydroxide phosphate
SYSTEMATIC NAME: oxidanylidenemolybdenum hydroxide phosphate
MOLECULAR FORMULA: HMoO6P-4
MOLECULAR WEIGHT: 223.918101
SMILES: [OH-].[O-]P(=O)([O-])[O-].O=[Mo]
CAS RN: 52110-72-2
CAS Name: chromium; oxoammonium
OPENEYE Name: chromium; oxoammonium
IUPAC Name: chromium; oxoazanium
SYSTEMATIC NAME: chromium; oxidanylideneazanium
MOLECULAR FORMULA: CrH2NO+
MOLECULAR WEIGHT: 84.01808
SMILES: [NH2+]=O.[Cr]
CAS RN: 26686-74-8
CAS Name: cobalt silicate
OPENEYE Name: cobalt silicate
IUPAC Name: cobalt silicate
SYSTEMATIC NAME: cobalt silicate
MOLECULAR FORMULA: CoO4Si-4
MOLECULAR WEIGHT: 151.0163
SMILES: [O-][Si]([O-])([O-])[O-].[Co]
CAS RN: 40167-95-1
CAS Name: calcium 2-hydroxybenzoic acid methyl ester
OPENEYE Name: calcium methyl 2-hydroxybenzoate
IUPAC Name: calcium methyl 2-hydroxybenzoate
SYSTEMATIC NAME: calcium methyl 2-oxidanylbenzoate
MOLECULAR FORMULA: C8H8CaO3+2
MOLECULAR WEIGHT: 192.22532
SMILES: COC(=O)C1=CC=CC=C1O.[Ca+2]
CAS RN: 22232-16-2
CAS Name: 2,2-difluorohexane-1,6-diamine
OPENEYE Name: 2,2-difluorohexane-1,6-diamine
IUPAC Name: 2,2-difluorohexane-1,6-diamine
SYSTEMATIC NAME: 2,2-bis(fluoranyl)hexane-1,6-diamine
MOLECULAR FORMULA: C6H14F2N2
MOLECULAR WEIGHT: 152.185566
SMILES: C(CCN)CC(CN)(F)F
CAS RN: 82010-73-9
CAS Name: 2-[(1E,3E)-heptadeca-1,3-dienyl]-1-(phenylmethyl)-4,5-dihydroimidazole hydrochloride
OPENEYE Name: 1-benzyl-2-[(1E,3E)-heptadeca-1,3-dienyl]-4,5-dihydroimidazole hydrochloride
IUPAC Name: 1-benzyl-2-[(1E,3E)-heptadeca-1,3-dienyl]-4,5-dihydroimidazole hydrochloride
SYSTEMATIC NAME: 2-[(1E,3E)-heptadeca-1,3-dienyl]-1-(phenylmethyl)-4,5-dihydroimidazole hydrochloride
MOLECULAR FORMULA: C27H43ClN2
MOLECULAR WEIGHT: 431.09672
SMILES: CCCCCCCCCCCCC/C=C/C=C/C1=NCCN1CC2=CC=CC=C2.Cl
CAS RN: 82010-80-8
CAS Name: 2-[[8-(hydroxymethylamino)-2-naphthalenyl]sulfonyloxy]benzoic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-[[8-(hydroxymethylamino)-2-naphthyl]sulfonyloxy]benzoate
IUPAC Name: propan-2-yl 2-[8-(hydroxymethylamino)naphthalen-2-yl]sulfonyloxybenzoate
SYSTEMATIC NAME: propan-2-yl 2-[8-(hydroxymethylamino)naphthalen-2-yl]sulfonyloxybenzoate
MOLECULAR FORMULA: C21H21NO6S
MOLECULAR WEIGHT: 415.45954
SMILES: CC(C)OC(=O)C1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=CC=C3NCO)C=C2
CAS RN: 104490-71-3
CAS Name: 1,2,3-trimethylacridine
OPENEYE Name: 1,2,3-trimethylacridine
IUPAC Name: 1,2,3-trimethylacridine
SYSTEMATIC NAME: 1,2,3-trimethylacridine
MOLECULAR FORMULA: C16H15N
MOLECULAR WEIGHT: 221.297
SMILES: CC1=CC2=NC3=CC=CC=C3C=C2C(=C1C)C
CAS RN: 265647-11-8
CAS Name: silver sodium zirconium phosphate
OPENEYE Name: silver sodium zirconium phosphate
IUPAC Name: silver sodium zirconium phosphate
SYSTEMATIC NAME: silver sodium zirconium phosphate
MOLECULAR FORMULA: AgNaO4PZr-
MOLECULAR WEIGHT: 317.053331
SMILES: [O-]P(=O)([O-])[O-].[Na+].[Zr].[Ag+]
CAS RN: 206443-83-6
CAS Name: hexane-1,5-diol dinitrate
OPENEYE Name: hexane-1,5-diol dinitrate
IUPAC Name: hexane-1,5-diol dinitrate
SYSTEMATIC NAME: hexane-1,5-diol dinitrate
MOLECULAR FORMULA: C6H14N2O8-2
MOLECULAR WEIGHT: 242.18396
SMILES: CC(CCCCO)O.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]
CAS RN: 122751-75-1
CAS Name: 3-hydroxy-11-methyltridecanoic acid
OPENEYE Name: 3-hydroxy-11-methyl-tridecanoic acid
IUPAC Name: 3-hydroxy-11-methyltridecanoic acid
SYSTEMATIC NAME: 11-methyl-3-oxidanyl-tridecanoic acid
MOLECULAR FORMULA: C14H28O3
MOLECULAR WEIGHT: 244.37032
SMILES: CCC(C)CCCCCCCC(CC(=O)O)O
CAS RN: 1940-29-0
CAS Name: 4-bromo-3,5-dinitroaniline
OPENEYE Name: 4-bromo-3,5-dinitro-aniline
IUPAC Name: 4-bromo-3,5-dinitroaniline
SYSTEMATIC NAME: 4-bromanyl-3,5-dinitro-aniline
MOLECULAR FORMULA: C6H4BrN3O4
MOLECULAR WEIGHT: 262.01766
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Br)[N+](=O)[O-])N
CAS RN: 116211-85-9
CAS Name: 1-hydroxy-2-methylindole
OPENEYE Name: 1-hydroxy-2-methyl-indole
IUPAC Name: 1-hydroxy-2-methylindole
SYSTEMATIC NAME: 2-methyl-1-oxidanyl-indole
MOLECULAR FORMULA: C9H9NO
MOLECULAR WEIGHT: 147.17386
SMILES: CC1=CC2=CC=CC=C2N1O
CAS RN: 107097-79-0
CAS Name: 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid hydrate
OPENEYE Name: 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid hydrate
IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid hydrate
SYSTEMATIC NAME: 7-(3-azanylpyrrolidin-1-yl)-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid hydrate
MOLECULAR FORMULA: C19H17F3N4O4
MOLECULAR WEIGHT: 422.35789
SMILES: C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F.O
CAS RN: 38149-23-4
CAS Name: sodium 3-chloro-2,5,6-trimethylbenzoic acid
OPENEYE Name: sodium 3-chloro-2,5,6-trimethyl-benzoic acid
IUPAC Name: sodium 3-chloro-2,5,6-trimethylbenzoic acid
SYSTEMATIC NAME: sodium 3-chloranyl-2,5,6-trimethyl-benzoic acid
MOLECULAR FORMULA: C10H11ClNaO2+
MOLECULAR WEIGHT: 221.63591
SMILES: CC1=CC(=C(C(=C1C)C(=O)O)C)Cl.[Na+]
CAS RN: 51835-44-0
CAS Name: 2-(1-hydroxy-1-methoxyethyl)benzoate
OPENEYE Name: 2-(1-hydroxy-1-methoxy-ethyl)benzoate
IUPAC Name: 2-(1-hydroxy-1-methoxyethyl)benzoate
SYSTEMATIC NAME: 2-(1-methoxy-1-oxidanyl-ethyl)benzoate
MOLECULAR FORMULA: C10H11O4-
MOLECULAR WEIGHT: 195.19194
SMILES: CC(C1=CC=CC=C1C(=O)[O-])(O)OC
CAS RN: 3450-05-3
CAS Name: (Z)-2-butenedioate; 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine
OPENEYE Name: (Z)-but-2-enedioate; 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
IUPAC Name: (Z)-but-2-enedioate; 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
SYSTEMATIC NAME: (Z)-but-2-enedioate; 2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
MOLECULAR FORMULA: C24H26ClN3O4S-2
MOLECULAR WEIGHT: 487.99894
SMILES: CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C\C(=O)[O-])\C(=O)[O-]
CAS RN: 69632-94-6
CAS Name: disodium 3-[(2E)-2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl]pentanedioate
OPENEYE Name: disodium 3-[(2E)-2-(3,5-dimethyl-2-oxo-cyclohexylidene)ethyl]pentanedioate
IUPAC Name: disodium 3-[(2E)-2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl]pentanedioate
SYSTEMATIC NAME: disodium 3-[(2E)-2-(3,5-dimethyl-2-oxidanylidene-cyclohexylidene)ethyl]pentanedioate
MOLECULAR FORMULA: C15H20Na2O5
MOLECULAR WEIGHT: 326.29584
SMILES: CC1CC(C(=O)/C(=C/CC(CC(=O)[O-])CC(=O)[O-])/C1)C.[Na+].[Na+]
CAS RN: 14391-62-9
CAS Name: rubidium-80
OPENEYE Name: rubidium-80
IUPAC Name: rubidium-80
SYSTEMATIC NAME: rubidium-80
MOLECULAR FORMULA: Rb
MOLECULAR WEIGHT: 79.922519
SMILES: [80Rb]
CAS RN: 121222-48-8
CAS Name: octane-1,2-diol dinitrate
OPENEYE Name: octane-1,2-diol dinitrate
IUPAC Name: octane-1,2-diol dinitrate
SYSTEMATIC NAME: octane-1,2-diol dinitrate
MOLECULAR FORMULA: C8H18N2O8-2
MOLECULAR WEIGHT: 270.23712
SMILES: CCCCCCC(CO)O.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]
CAS RN: 17623-41-5
CAS Name: 1-dodecanamine; 2,4,6-trinitrophenolate
OPENEYE Name: dodecan-1-amine; 2,4,6-trinitrophenolate
IUPAC Name: dodecan-1-amine; 2,4,6-trinitrophenolate
SYSTEMATIC NAME: dodecan-1-amine; 2,4,6-trinitrophenolate
MOLECULAR FORMULA: C18H29N4O7-
MOLECULAR WEIGHT: 413.44546
SMILES: CCCCCCCCCCCCN.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
CAS RN: 15151-08-3
CAS Name: xenon-120
OPENEYE Name: xenon-120
IUPAC Name: xenon-120
SYSTEMATIC NAME: xenon-120
MOLECULAR FORMULA: Xe
MOLECULAR WEIGHT: 119.91215
SMILES: [120Xe]
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