CAS RN: 72004-73-0
CAS Name: 2-propenoic acid 2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl ester
OPENEYE Name: 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-methyl-ethyl]phenoxy]ethyl prop-2-enoate
IUPAC Name: 2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
SYSTEMATIC NAME: 2-[4-[2-[4-(2-hydroxyethyloxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
MOLECULAR FORMULA: C22H26O5
MOLECULAR WEIGHT: 370.43884
SMILES: CC(C)(C1=CC=C(C=C1)OCCO)C2=CC=C(C=C2)OCCOC(=O)C=C
Structure:
CAS RN: 71989-99-6
CAS Name: 2-(2,3,4-trimethoxyphenyl)propanoic acid
OPENEYE Name: 2-(2,3,4-trimethoxyphenyl)propanoic acid
IUPAC Name: 2-(2,3,4-trimethoxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-(2,3,4-trimethoxyphenyl)propanoic acid
MOLECULAR FORMULA: C12H16O5
MOLECULAR WEIGHT: 240.25244
SMILES: CC(C1=C(C(=C(C=C1)OC)OC)OC)C(=O)O
Structure:
CAS RN: 71989-92-9
CAS Name: 1-[3-(trifluoromethyl)phenyl]-4-piperidinol
OPENEYE Name: 1-[3-(trifluoromethyl)phenyl]piperidin-4-ol
IUPAC Name: 1-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SYSTEMATIC NAME: 1-[3-(trifluoromethyl)phenyl]piperidin-4-ol
MOLECULAR FORMULA: C12H14F3NO
MOLECULAR WEIGHT: 245.24087
SMILES: C1CN(CCC1O)C2=CC=CC(=C2)C(F)(F)F
Structure:
CAS RN: 71975-60-5
CAS Name: 1,2,3-trifluoro-10H-phenothiazine
OPENEYE Name: 1,2,3-trifluoro-10H-phenothiazine
IUPAC Name: 1,2,3-trifluoro-10H-phenothiazine
SYSTEMATIC NAME: 1,2,3-tris(fluoranyl)-10H-phenothiazine
MOLECULAR FORMULA: C12H6F3NS
MOLECULAR WEIGHT: 253.24295
SMILES: C1=CC=C2C(=C1)NC3=C(S2)C=C(C(=C3F)F)F
Structure:
CAS RN: 71975-57-0
CAS Name: dimethyl-[2-[2-(2-methyloctyl)phenoxy]ethyl]-(phenylmethyl)ammonium chloride
OPENEYE Name: benzyl-dimethyl-[2-[2-(2-methyloctyl)phenoxy]ethyl]ammonium chloride
IUPAC Name: benzyl-dimethyl-[2-[2-(2-methyloctyl)phenoxy]ethyl]azanium chloride
SYSTEMATIC NAME: dimethyl-[2-[2-(2-methyloctyl)phenoxy]ethyl]-(phenylmethyl)azanium chloride
MOLECULAR FORMULA: C26H40ClNO
MOLECULAR WEIGHT: 418.0549
SMILES: CCCCCCC(C)CC1=CC=CC=C1OCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 71965-22-5
CAS Name: 2,6-dioxo-3H-purine-9-carboxylic acid
OPENEYE Name: 2,6-dioxo-3H-purine-9-carboxylic acid
IUPAC Name: 2,6-dioxo-3H-purine-9-carboxylic acid
SYSTEMATIC NAME: 2,6-bis(oxidanylidene)-3H-purine-9-carboxylic acid
MOLECULAR FORMULA: C6H4N4O4
MOLECULAR WEIGHT: 196.12036
SMILES: C1=NC2=C(N1C(=O)O)NC(=O)NC2=O
Structure:
CAS RN: 71965-20-3
CAS Name: 2,4-dibutyl-6-ethylphenol
OPENEYE Name: 2,4-dibutyl-6-ethyl-phenol
IUPAC Name: 2,4-dibutyl-6-ethylphenol
SYSTEMATIC NAME: 2,4-dibutyl-6-ethyl-phenol
MOLECULAR FORMULA: C16H26O
MOLECULAR WEIGHT: 234.37704
SMILES: CCCCC1=CC(=C(C(=C1)CCCC)O)CC
Structure:
CAS RN: 71965-13-4
CAS Name: dichlorotitanium; octane
OPENEYE Name: dichlorotitanium; octane
IUPAC Name: dichlorotitanium; octane
SYSTEMATIC NAME: bis(chloranyl)titanium; octane
MOLECULAR FORMULA: C16H34Cl2Ti-2
MOLECULAR WEIGHT: 345.21416
SMILES: CCCCCCC[CH2-].CCCCCCC[CH2-].Cl[Ti]Cl
Structure:
CAS RN: 71965-08-7
CAS Name: 3-amino-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-one
OPENEYE Name: 3-amino-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-one
IUPAC Name: 3-amino-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-one
SYSTEMATIC NAME: 3-azanyl-2-[2,4,6-tris(chloranyl)phenyl]-1H-pyrazol-5-one
MOLECULAR FORMULA: C9H6Cl3N3O
MOLECULAR WEIGHT: 278.52244
SMILES: C1=C(C=C(C(=C1Cl)N2C(=CC(=O)N2)N)Cl)Cl
Structure:
CAS RN: 71965-04-3
CAS Name: 2-amino-5-methyl-N-phenylbenzenesulfonamide
OPENEYE Name: 2-amino-5-methyl-N-phenyl-benzenesulfonamide
IUPAC Name: 2-amino-5-methyl-N-phenylbenzenesulfonamide
SYSTEMATIC NAME: 2-azanyl-5-methyl-N-phenyl-benzenesulfonamide
MOLECULAR FORMULA: C13H14N2O2S
MOLECULAR WEIGHT: 262.32746
SMILES: CC1=CC(=C(C=C1)N)S(=O)(=O)NC2=CC=CC=C2
Structure:
CAS RN: 71960-75-3
CAS Name: 3-[2-hydroxy-3-(4-nonylphenoxy)propoxy]propane-1,2-diol
OPENEYE Name: 3-[2-hydroxy-3-(4-nonylphenoxy)propoxy]propane-1,2-diol
IUPAC Name: 3-[2-hydroxy-3-(4-nonylphenoxy)propoxy]propane-1,2-diol
SYSTEMATIC NAME: 3-[3-(4-nonylphenoxy)-2-oxidanyl-propoxy]propane-1,2-diol
MOLECULAR FORMULA: C21H36O5
MOLECULAR WEIGHT: 368.50754
SMILES: CCCCCCCCCC1=CC=C(C=C1)OCC(COCC(CO)O)O
Structure:
CAS RN: 71929-28-7
CAS Name: acetic acid (2,2,6,6-tetrachlorocyclohexyl) ester
OPENEYE Name: (2,2,6,6-tetrachlorocyclohexyl) acetate
IUPAC Name: (2,2,6,6-tetrachlorocyclohexyl) acetate
SYSTEMATIC NAME: [2,2,6,6-tetrakis(chloranyl)cyclohexyl] ethanoate
MOLECULAR FORMULA: C8H10Cl4O2
MOLECULAR WEIGHT: 279.9758
SMILES: CC(=O)OC1C(CCCC1(Cl)Cl)(Cl)Cl
Structure:
CAS RN: 71929-22-1
CAS Name: tetrapropylammonium formate
OPENEYE Name: tetrapropylammonium formate
IUPAC Name: tetrapropylazanium formate
SYSTEMATIC NAME: tetrapropylazanium methanoate
MOLECULAR FORMULA: C13H29NO2
MOLECULAR WEIGHT: 231.37486
SMILES: CCC[N+](CCC)(CCC)CCC.C(=O)[O-]
Structure:
CAS RN: 71889-72-0
CAS Name: 1H-indole-6-carboximidamide
OPENEYE Name: 1H-indole-6-carboxamidine
IUPAC Name: 1H-indole-6-carboximidamide
SYSTEMATIC NAME: 1H-indole-6-carboximidamide
MOLECULAR FORMULA: C9H9N3
MOLECULAR WEIGHT: 159.18786
SMILES: C1=CC(=CC2=C1C=CN2)C(=N)N
Structure:
CAS RN: 71888-64-7
CAS Name: magnesium 1,4-dimethylbenzene-6-ide chloride
OPENEYE Name: magnesium 1,4-dimethylbenzene-6-ide chloride
IUPAC Name: magnesium 1,4-dimethylbenzene-6-ide chloride
SYSTEMATIC NAME: magnesium 1,4-dimethylbenzene-6-ide chloride
MOLECULAR FORMULA: C8H9ClMg
MOLECULAR WEIGHT: 164.91506
SMILES: CC1=CC=C([C-]=C1)C.[Mg+2].[Cl-]
Structure:
CAS RN: 71888-58-9
CAS Name: 2-cyanoacetic acid octadecyl ester
OPENEYE Name: octadecyl 2-cyanoacetate
IUPAC Name: octadecyl 2-cyanoacetate
SYSTEMATIC NAME: octadecyl 2-cyanoethanoate
MOLECULAR FORMULA: C21H39NO2
MOLECULAR WEIGHT: 337.53986
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CC#N
Structure:
CAS RN: 71888-56-7
CAS Name: 1-propylpiperazine hydrobromide
OPENEYE Name: 1-propylpiperazine hydrobromide
IUPAC Name: 1-propylpiperazine hydrobromide
SYSTEMATIC NAME: 1-propylpiperazine hydrobromide
MOLECULAR FORMULA: C7H17BrN2
MOLECULAR WEIGHT: 209.12728
SMILES: CCCN1CCNCC1.Br
Structure:
CAS RN: 71888-55-6
CAS Name: 1-propylpiperazine hydrochloride
OPENEYE Name: 1-propylpiperazine hydrochloride
IUPAC Name: 1-propylpiperazine hydrochloride
SYSTEMATIC NAME: 1-propylpiperazine hydrochloride
MOLECULAR FORMULA: C7H17ClN2
MOLECULAR WEIGHT: 164.67628
SMILES: CCCN1CCNCC1.Cl
Structure:
CAS RN: 71872-99-6
CAS Name: 2-[2-(2-piperidinyl)ethoxy]ethanol
OPENEYE Name: 2-[2-(2-piperidyl)ethoxy]ethanol
IUPAC Name: 2-(2-piperidin-2-ylethoxy)ethanol
SYSTEMATIC NAME: 2-(2-piperidin-2-ylethoxy)ethanol
MOLECULAR FORMULA: C9H19NO2
MOLECULAR WEIGHT: 173.25266
SMILES: C1CCNC(C1)CCOCCO
Structure:
CAS RN: 71872-96-3
CAS Name: 2-[5-oxo-1-(4-sulfophenyl)-4H-pyrazol-3-yl]acetic acid
OPENEYE Name: 2-[5-oxo-1-(4-sulfophenyl)-4H-pyrazol-3-yl]acetic acid
IUPAC Name: 2-[5-oxo-1-(4-sulfophenyl)-4H-pyrazol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-3-yl]ethanoic acid
MOLECULAR FORMULA: C11H10N2O6S
MOLECULAR WEIGHT: 298.2719
SMILES: C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)CC(=O)O
Structure:
CAS RN: 71868-00-3
CAS Name: 2-ethyl-2-hydroxy-1-phenyl-1-hexanone
OPENEYE Name: 2-ethyl-2-hydroxy-1-phenyl-hexan-1-one
IUPAC Name: 2-ethyl-2-hydroxy-1-phenylhexan-1-one
SYSTEMATIC NAME: 2-ethyl-2-oxidanyl-1-phenyl-hexan-1-one
MOLECULAR FORMULA: C14H20O2
MOLECULAR WEIGHT: 220.3074
SMILES: CCCCC(CC)(C(=O)C1=CC=CC=C1)O
Structure:
CAS RN: 71850-05-0
CAS Name: piperazine hydroiodide
OPENEYE Name: piperazine hydroiodide
IUPAC Name: piperazine hydroiodide
SYSTEMATIC NAME: piperazine hydroiodide
MOLECULAR FORMULA: C4H11IN2
MOLECULAR WEIGHT: 214.04801
SMILES: C1CNCCN1.I
Structure:
CAS RN: 71850-02-7
CAS Name: hexanedioic acid O1-butyl ester O6-decyl ester
OPENEYE Name: O1-butyl O6-decyl hexanedioate
IUPAC Name: 1-O-butyl 6-O-decyl hexanedioate
SYSTEMATIC NAME: O1-butyl O6-decyl hexanedioate
MOLECULAR FORMULA: C20H38O4
MOLECULAR WEIGHT: 342.51332
SMILES: CCCCCCCCCCOC(=O)CCCCC(=O)OCCCC
Structure:
CAS RN: 71849-96-2
CAS Name: 5-oxo-1-[(4-sulfophenyl)methyl]-4H-pyrazole-3-carboxylic acid
OPENEYE Name: 5-oxo-1-[(4-sulfophenyl)methyl]-4H-pyrazole-3-carboxylic acid
IUPAC Name: 5-oxo-1-[(4-sulfophenyl)methyl]-4H-pyrazole-3-carboxylic acid
SYSTEMATIC NAME: 5-oxidanylidene-1-[(4-sulfophenyl)methyl]-4H-pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C11H10N2O6S
MOLECULAR WEIGHT: 298.2719
SMILES: C1C(=NN(C1=O)CC2=CC=C(C=C2)S(=O)(=O)O)C(=O)O
Structure:
CAS RN: 71820-57-0
CAS Name: [1-(cyclopropylmethyl)-2-pyrrolidinyl]methanamine
OPENEYE Name: [1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine
IUPAC Name: [1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine
SYSTEMATIC NAME: [1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine
MOLECULAR FORMULA: C9H18N2
MOLECULAR WEIGHT: 154.25262
SMILES: C1CC(N(C1)CC2CC2)CN
Structure:
CAS RN: 71799-41-2
CAS Name: 7-chloro-1H-quinolin-4-one hydrochloride
OPENEYE Name: 7-chloro-1H-quinolin-4-one hydrochloride
IUPAC Name: 7-chloro-1H-quinolin-4-one hydrochloride
SYSTEMATIC NAME: 7-chloranyl-1H-quinolin-4-one hydrochloride
MOLECULAR FORMULA: C9H7Cl2NO
MOLECULAR WEIGHT: 216.06398
SMILES: C1=CC2=C(C=C1Cl)NC=CC2=O.Cl
Structure:
CAS RN: 71762-36-2
CAS Name: dimethylphosphorylmethylphosphonic acid
OPENEYE Name: dimethylphosphorylmethylphosphonic acid
IUPAC Name: dimethylphosphorylmethylphosphonic acid
SYSTEMATIC NAME: dimethylphosphorylmethylphosphonic acid
MOLECULAR FORMULA: C3H10O4P2
MOLECULAR WEIGHT: 172.056622
SMILES: CP(=O)(C)CP(=O)(O)O
Structure:
CAS RN: 71757-31-8
CAS Name: 6-[methyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2,3-diol
OPENEYE Name: 2-[methyl(propyl)amino]tetralin-6,7-diol
IUPAC Name: 6-[methyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2,3-diol
SYSTEMATIC NAME: 6-[methyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2,3-diol
MOLECULAR FORMULA: C14H21NO2
MOLECULAR WEIGHT: 235.32204
SMILES: CCCN(C)C1CCC2=CC(=C(C=C2C1)O)O
Structure:
CAS RN: 71752-27-7
CAS Name: 4-chloro-N-(2-dodecoxyphenyl)-1-hydroxy-2-naphthalenecarboxamide
OPENEYE Name: 4-chloro-N-(2-dodecoxyphenyl)-1-hydroxy-naphthalene-2-carboxamide
IUPAC Name: 4-chloro-N-(2-dodecoxyphenyl)-1-hydroxynaphthalene-2-carboxamide
SYSTEMATIC NAME: 4-chloranyl-N-(2-dodecoxyphenyl)-1-oxidanyl-naphthalene-2-carboxamide
MOLECULAR FORMULA: C29H36ClNO3
MOLECULAR WEIGHT: 482.05404
SMILES: CCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)Cl)O
Structure:
CAS RN: 71750-41-9
CAS Name: 4-hydroxy-5-[(2-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonic acid
OPENEYE Name: 4-hydroxy-5-(o-tolylsulfonylamino)naphthalene-2,7-disulfonic acid
IUPAC Name: 4-hydroxy-5-[(2-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: 4-[(2-methylphenyl)sulfonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C17H15NO9S3
MOLECULAR WEIGHT: 473.4973
SMILES: CC1=CC=CC=C1S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O
Structure:
CAS RN: 71750-40-8
CAS Name: 1-nitro-1,2,3,4-tetrahydronaphthalene
OPENEYE Name: 1-nitrotetralin
IUPAC Name: 1-nitro-1,2,3,4-tetrahydronaphthalene
SYSTEMATIC NAME: 1-nitro-1,2,3,4-tetrahydronaphthalene
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C1CC(C2=CC=CC=C2C1)[N+](=O)[O-]
Structure:
CAS RN: 79817-66-6
CAS Name: 1-nitro-1,2,3,4-tetrahydronaphthalene
OPENEYE Name: 1-nitrotetralin
IUPAC Name: 1-nitro-1,2,3,4-tetrahydronaphthalene
SYSTEMATIC NAME: 1-nitro-1,2,3,4-tetrahydronaphthalene
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C1CC(C2=CC=CC=C2C1)[N+](=O)[O-]
Structure:
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