CAS RN: 151521-49-2
CAS Name: 4-propan-2-yl-1H-pyrazol-5-amine
OPENEYE Name: 4-isopropyl-1H-pyrazol-5-amine
IUPAC Name: 4-propan-2-yl-1H-pyrazol-5-amine
SYSTEMATIC NAME: 4-propan-2-yl-1H-pyrazol-5-amine
MOLECULAR FORMULA: C6H11N3
MOLECULAR WEIGHT: 125.17164
SMILES: CC(C)C1=C(NN=C1)N
Structure:
CAS RN: 15084-61-4
CAS Name: 3-tert-butylbenzenethiol
OPENEYE Name: 3-tert-butylbenzenethiol
IUPAC Name: 3-tert-butylbenzenethiol
SYSTEMATIC NAME: 3-tert-butylbenzenethiol
MOLECULAR FORMULA: C10H14S
MOLECULAR WEIGHT: 166.28316
SMILES: CC(C)(C)C1=CC(=CC=C1)S
Structure:
CAS RN: 74620-35-2
CAS Name: N,N-bis(phenylmethyl)-3'-propan-2-yl-2,2'-spirobi[1-benzopyran]-7'-amine
OPENEYE Name: N,N-dibenzyl-3'-isopropyl-2,2'-spirobi[chromene]-7'-amine
IUPAC Name: N,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine
SYSTEMATIC NAME: N,N-bis(phenylmethyl)-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine
MOLECULAR FORMULA: C34H31NO2
MOLECULAR WEIGHT: 485.61544
SMILES: CC(C)C1=CC2=C(C=C(C=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)OC15C=CC6=CC=CC=C6O5
Structure:
CAS RN: 14732-58-2
CAS Name: cobalt(2+) bromate
OPENEYE Name: cobaltous bromate
IUPAC Name: cobalt(2+) bromate
SYSTEMATIC NAME: cobalt(2+) bromate
MOLECULAR FORMULA: BrCoO3+
MOLECULAR WEIGHT: 186.8354
SMILES: [O-]Br(=O)=O.[Co+2]
Structure:
CAS RN: 124236-37-9
CAS Name: 5-(trifluoromethyl)-2-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 5-(trifluoromethyl)pyridine-2-carboxylate
IUPAC Name: methyl 5-(trifluoromethyl)pyridine-2-carboxylate
SYSTEMATIC NAME: methyl 5-(trifluoromethyl)pyridine-2-carboxylate
MOLECULAR FORMULA: C8H6F3NO2
MOLECULAR WEIGHT: 205.13395
SMILES: COC(=O)C1=NC=C(C=C1)C(F)(F)F
Structure:
CAS RN: 114331-06-5
CAS Name: 2,6-diaminoheptanedioic acid bis(phenylmethyl) ester hydrochloride
OPENEYE Name: dibenzyl 2,6-diaminoheptanedioate hydrochloride
IUPAC Name: dibenzyl 2,6-diaminoheptanedioate hydrochloride
SYSTEMATIC NAME: bis(phenylmethyl) 2,6-bis(azanyl)heptanedioate hydrochloride
MOLECULAR FORMULA: C21H27ClN2O4
MOLECULAR WEIGHT: 406.90308
SMILES: C1=CC=C(C=C1)COC(=O)C(CCCC(C(=O)OCC2=CC=CC=C2)N)N.Cl
Structure:
CAS RN: 86780-25-8
CAS Name: 2-carbamoyl-5-methoxybenzenediazonium chloride
OPENEYE Name: 2-carbamoyl-5-methoxy-benzenediazonium chloride
IUPAC Name: 2-carbamoyl-5-methoxybenzenediazonium chloride
SYSTEMATIC NAME: 2-aminocarbonyl-5-methoxy-benzenediazonium chloride
MOLECULAR FORMULA: C8H8ClN3O2
MOLECULAR WEIGHT: 213.62102
SMILES: COC1=CC(=C(C=C1)C(=O)N)[N+]#N.[Cl-]
Structure:
CAS RN: 879093-02-4
CAS Name: 4-chloro-2,5-difluorobenzaldehyde
OPENEYE Name: 4-chloro-2,5-difluoro-benzaldehyde
IUPAC Name: 4-chloro-2,5-difluorobenzaldehyde
SYSTEMATIC NAME: 4-chloranyl-2,5-bis(fluoranyl)benzaldehyde
MOLECULAR FORMULA: C7H3ClF2O
MOLECULAR WEIGHT: 176.547926
SMILES: C1=C(C(=CC(=C1F)Cl)F)C=O
Structure:
CAS RN: 22353-35-1
CAS Name: 3-chloro-5-nitro-2-pyridinamine
OPENEYE Name: 3-chloro-5-nitro-pyridin-2-amine
IUPAC Name: 3-chloro-5-nitropyridin-2-amine
SYSTEMATIC NAME: 3-chloranyl-5-nitro-pyridin-2-amine
MOLECULAR FORMULA: C5H4ClN3O2
MOLECULAR WEIGHT: 173.55716
SMILES: C1=C(C=NC(=C1Cl)N)[N+](=O)[O-]
Structure:
CAS RN: 29330-29-8
CAS Name: (2E)-2-[(2E)-2-(1,2-diphenyl-3-indol-1-iumylidene)ethylidene]-1,3,3-trimethylpyrrolo[2,3-b]pyridine perchlorate
OPENEYE Name: (2E)-2-[(2E)-2-(1,2-diphenylindol-1-ium-3-ylidene)ethylidene]-1,3,3-trimethyl-pyrrolo[2,3-b]pyridine perchlorate
IUPAC Name: (2E)-2-[(2E)-2-(1,2-diphenylindol-1-ium-3-ylidene)ethylidene]-1,3,3-trimethylpyrrolo[2,3-b]pyridine perchlorate
SYSTEMATIC NAME: (2E)-2-[(2E)-2-(1,2-diphenylindol-1-ium-3-ylidene)ethylidene]-1,3,3-trimethyl-pyrrolo[2,3-b]pyridine perchlorate
MOLECULAR FORMULA: C32H28ClN3O4
MOLECULAR WEIGHT: 554.03542
SMILES: CC\1(C2=C(N=CC=C2)N(/C1=C/C=C/3\C4=CC=CC=C4[N+](=C3C5=CC=CC=C5)C6=CC=CC=C6)C)C.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 85554-75-2
CAS Name: 4-[diethoxy(methyl)silyl]butanoic acid
OPENEYE Name: 4-[diethoxy(methyl)silyl]butanoic acid
IUPAC Name: 4-[diethoxy(methyl)silyl]butanoic acid
SYSTEMATIC NAME: 4-[diethoxy(methyl)silyl]butanoic acid
MOLECULAR FORMULA: C9H20O4Si
MOLECULAR WEIGHT: 220.3382
SMILES: CCO[Si](C)(CCCC(=O)O)OCC
Structure:
CAS RN: 169674-35-5
CAS Name: 5,6-difluoro-1H-indole-2-carboxylic acid
OPENEYE Name: 5,6-difluoro-1H-indole-2-carboxylic acid
IUPAC Name: 5,6-difluoro-1H-indole-2-carboxylic acid
SYSTEMATIC NAME: 5,6-bis(fluoranyl)-1H-indole-2-carboxylic acid
MOLECULAR FORMULA: C9H5F2NO2
MOLECULAR WEIGHT: 197.138306
SMILES: C1=C2C=C(NC2=CC(=C1F)F)C(=O)O
Structure:
CAS RN: 93919-22-3
CAS Name: 2-[4-[bis(2-hydroxyethyl)amino]-3-nitroanilino]ethanol
OPENEYE Name: 2-[4-[bis(2-hydroxyethyl)amino]-3-nitro-anilino]ethanol
IUPAC Name: 2-[4-[bis(2-hydroxyethyl)amino]-3-nitroanilino]ethanol
SYSTEMATIC NAME: 2-[[4-[bis(2-hydroxyethyl)amino]-3-nitro-phenyl]amino]ethanol
MOLECULAR FORMULA: C12H19N3O5
MOLECULAR WEIGHT: 285.29636
SMILES: C1=CC(=C(C=C1NCCO)[N+](=O)[O-])N(CCO)CCO
Structure:
CAS RN: 53636-68-3
CAS Name: 3-amino-5-chloro-2-pyridinecarboxylic acid
OPENEYE Name: 3-amino-5-chloro-pyridine-2-carboxylic acid
IUPAC Name: 3-amino-5-chloropyridine-2-carboxylic acid
SYSTEMATIC NAME: 3-azanyl-5-chloranyl-pyridine-2-carboxylic acid
MOLECULAR FORMULA: C6H5ClN2O2
MOLECULAR WEIGHT: 172.5691
SMILES: C1=C(C(=NC=C1Cl)C(=O)O)N
Structure:
CAS RN: 5541-93-5
CAS Name: trisodium 2-phosphonatooxy-2-propenoate hydrate
OPENEYE Name: trisodium 2-phosphonatooxyprop-2-enoate hydrate
IUPAC Name: trisodium 2-phosphonatooxyprop-2-enoate hydrate
SYSTEMATIC NAME: trisodium 2-phosphonatooxyprop-2-enoate hydrate
MOLECULAR FORMULA: C3H4Na3O7P
MOLECULAR WEIGHT: 252.002731
SMILES: C=C(C(=O)[O-])OP(=O)([O-])[O-].O.[Na+].[Na+].[Na+]
Structure:
CAS RN: 147688-62-8
CAS Name: 2-phenyl-4-oxanone
OPENEYE Name: 2-phenyltetrahydropyran-4-one
IUPAC Name: 2-phenyloxan-4-one
SYSTEMATIC NAME: 2-phenyloxan-4-one
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: C1COC(CC1=O)C2=CC=CC=C2
Structure:
CAS RN: 20267-34-9
CAS Name: propane-1,2-diamine hydrochloride
OPENEYE Name: propane-1,2-diamine hydrochloride
IUPAC Name: propane-1,2-diamine hydrochloride
SYSTEMATIC NAME: propane-1,2-diamine hydrochloride
MOLECULAR FORMULA: C3H11ClN2
MOLECULAR WEIGHT: 110.58584
SMILES: CC(CN)N.Cl
Structure:
CAS RN: 181258-87-7
CAS Name: 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
OPENEYE Name: 1-(1,1-dimethylpropyl)-4-ethoxy-cyclohexane
IUPAC Name: 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
SYSTEMATIC NAME: 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
MOLECULAR FORMULA: C13H26O
MOLECULAR WEIGHT: 198.34494
SMILES: CCC(C)(C)C1CCC(CC1)OCC
Structure:
CAS RN: 181258-89-9
CAS Name: 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
OPENEYE Name: 1-(1,1-dimethylpropyl)-4-ethoxy-cyclohexane
IUPAC Name: 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
SYSTEMATIC NAME: 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
MOLECULAR FORMULA: C13H26O
MOLECULAR WEIGHT: 198.34494
SMILES: CCC(C)(C)C1CCC(CC1)OCC
Structure:
CAS RN: 94275-86-2
CAS Name: 2-methyl-2-propenoate; tin(4+)
OPENEYE Name: stannic 2-methylprop-2-enoate
IUPAC Name: 2-methylprop-2-enoate; tin(4+)
SYSTEMATIC NAME: 2-methylprop-2-enoate; tin(4+)
MOLECULAR FORMULA: C4H5O2Sn+3
MOLECULAR WEIGHT: 203.7913
SMILES: CC(=C)C(=O)[O-].[Sn+4]
Structure:
CAS RN: 72319-21-2
CAS Name: 2-[(2-aminophenyl)thio]aniline dihydrochloride
OPENEYE Name: 2-(2-aminophenyl)sulfanylaniline dihydrochloride
IUPAC Name: 2-(2-aminophenyl)sulfanylaniline dihydrochloride
SYSTEMATIC NAME: 2-(2-aminophenyl)sulfanylaniline dihydrochloride
MOLECULAR FORMULA: C12H14Cl2N2S
MOLECULAR WEIGHT: 289.22396
SMILES: C1=CC=C(C(=C1)N)SC2=CC=CC=C2N.Cl.Cl
Structure:
CAS RN: 73791-66-9
CAS Name: 2,5-dimethylbenzene-1,4-diamine; sulfuric acid
OPENEYE Name: 2,5-dimethylbenzene-1,4-diamine; sulfuric acid
IUPAC Name: 2,5-dimethylbenzene-1,4-diamine; sulfuric acid
SYSTEMATIC NAME: 2,5-dimethylbenzene-1,4-diamine; sulfuric acid
MOLECULAR FORMULA: C8H14N2O4S
MOLECULAR WEIGHT: 234.27276
SMILES: CC1=CC(=C(C=C1N)C)N.OS(=O)(=O)O
Structure:
CAS RN: 57297-27-5
CAS Name: 3-methylbutanimidamide hydrochloride
OPENEYE Name: 3-methylbutanamidine hydrochloride
IUPAC Name: 3-methylbutanimidamide hydrochloride
SYSTEMATIC NAME: 3-methylbutanimidamide hydrochloride
MOLECULAR FORMULA: C5H13ClN2
MOLECULAR WEIGHT: 136.62312
SMILES: CC(C)CC(=N)N.Cl
Structure:
CAS RN: 20752-56-1
CAS Name: magnesium 2,3-dihydroxybutanedioate pentahydrate
OPENEYE Name: magnesium 2,3-dihydroxybutanedioate pentahydrate
IUPAC Name: magnesium 2,3-dihydroxybutanedioate pentahydrate
SYSTEMATIC NAME: magnesium 2,3-bis(oxidanyl)butanedioate pentahydrate
MOLECULAR FORMULA: C4H14MgO11
MOLECULAR WEIGHT: 262.45236
SMILES: C(C(C(=O)[O-])O)(C(=O)[O-])O.O.O.O.O.O.[Mg+2]
Structure:
CAS RN: 142166-01-6
CAS Name: 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid methyl ester
OPENEYE Name: methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
IUPAC Name: methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
SYSTEMATIC NAME: methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: COC(=O)C1=CC2=C(C=C1)NCCO2
Structure:
CAS RN: 40899-37-4
CAS Name: 4-bromo-3-methylpyridine hydrochloride
OPENEYE Name: 4-bromo-3-methyl-pyridine hydrochloride
IUPAC Name: 4-bromo-3-methylpyridine hydrochloride
SYSTEMATIC NAME: 4-bromanyl-3-methyl-pyridine hydrochloride
MOLECULAR FORMULA: C6H7BrClN
MOLECULAR WEIGHT: 208.48348
SMILES: CC1=C(C=CN=C1)Br.Cl
Structure:
CAS RN: 1065073-35-9
CAS Name: 2-(bromomethyl)oxazole
OPENEYE Name: 2-(bromomethyl)oxazole
IUPAC Name: 2-(bromomethyl)-1,3-oxazole
SYSTEMATIC NAME: 2-(bromomethyl)-1,3-oxazole
MOLECULAR FORMULA: C4H4BrNO
MOLECULAR WEIGHT: 161.98466
SMILES: C1=COC(=N1)CBr
Structure:
CAS RN: 27177-85-1
CAS Name: octadecanoate; propane-1,2,3-triol; acetate
OPENEYE Name: glycerol; octadecanoate; acetate
IUPAC Name: octadecanoate; propane-1,2,3-triol; acetate
SYSTEMATIC NAME: octadecanoate; propane-1,2,3-triol; ethanoate
MOLECULAR FORMULA: C23H46O7-2
MOLECULAR WEIGHT: 434.60714
SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CC(=O)[O-].C(C(CO)O)O
Structure:
CAS RN: 25198-95-2
CAS Name: 5-pyrimidinylmethanamine
OPENEYE Name: pyrimidin-5-ylmethanamine
IUPAC Name: pyrimidin-5-ylmethanamine
SYSTEMATIC NAME: pyrimidin-5-ylmethanamine
MOLECULAR FORMULA: C5H7N3
MOLECULAR WEIGHT: 109.12918
SMILES: C1=C(C=NC=N1)CN
Structure:
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