CAS RN: 40835-52-7
CAS Name: 4-(3-hydrazinyl-3-oxopropoxy)benzohydrazide
OPENEYE Name: 4-(3-hydrazino-3-oxo-propoxy)benzohydrazide
IUPAC Name: 4-(3-hydrazinyl-3-oxopropoxy)benzohydrazide
SYSTEMATIC NAME: 4-(3-diazanyl-3-oxidanylidene-propoxy)benzohydrazide
MOLECULAR FORMULA: C10H14N4O3
MOLECULAR WEIGHT: 238.24316
SMILES: C1=CC(=CC=C1C(=O)NN)OCCC(=O)NN
Structure:
CAS RN: 40835-49-2
CAS Name: 3-(3-hydrazinyl-3-oxopropoxy)benzohydrazide
OPENEYE Name: 3-(3-hydrazino-3-oxo-propoxy)benzohydrazide
IUPAC Name: 3-(3-hydrazinyl-3-oxopropoxy)benzohydrazide
SYSTEMATIC NAME: 3-(3-diazanyl-3-oxidanylidene-propoxy)benzohydrazide
MOLECULAR FORMULA: C10H14N4O3
MOLECULAR WEIGHT: 238.24316
SMILES: C1=CC(=CC(=C1)OCCC(=O)NN)C(=O)NN
Structure:
CAS RN: 40800-76-8
CAS Name: 2-(methylthio)propanoic acid ethyl ester
OPENEYE Name: ethyl 2-methylsulfanylpropanoate
IUPAC Name: ethyl 2-methylsulfanylpropanoate
SYSTEMATIC NAME: ethyl 2-methylsulfanylpropanoate
MOLECULAR FORMULA: C6H12O2S
MOLECULAR WEIGHT: 148.22328
SMILES: CCOC(=O)C(C)SC
Structure:
CAS RN: 40790-02-1
CAS Name: 4-mercapto-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butanone
OPENEYE Name: 4-sulfanyl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one
IUPAC Name: 4-sulfanyl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one
SYSTEMATIC NAME: 4-sulfanyl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one
MOLECULAR FORMULA: C13H22OS
MOLECULAR WEIGHT: 226.37818
SMILES: CC1=C(C(CCC1)(C)C)C(CC(=O)C)S
Structure:
CAS RN: 40786-25-2
CAS Name: 2-[(2-tert-butylphenoxy)methyl]oxirane
OPENEYE Name: 2-[(2-tert-butylphenoxy)methyl]oxirane
IUPAC Name: 2-[(2-tert-butylphenoxy)methyl]oxirane
SYSTEMATIC NAME: 2-[(2-tert-butylphenoxy)methyl]oxirane
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: CC(C)(C)C1=CC=CC=C1OCC2CO2
Structure:
CAS RN: 40760-35-8
CAS Name: 3-methylenepentane-1,5-diol
OPENEYE Name: 3-methylenepentane-1,5-diol
IUPAC Name: 3-methylidenepentane-1,5-diol
SYSTEMATIC NAME: 3-methylidenepentane-1,5-diol
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: C=C(CCO)CCO
Structure:
CAS RN: 40739-56-8
CAS Name: 4-chloro-2-cyclohexyl-1,3-dioxo-5-isoindolesulfonamide
OPENEYE Name: 4-chloro-2-cyclohexyl-1,3-dioxo-isoindoline-5-sulfonamide
IUPAC Name: 4-chloro-2-cyclohexyl-1,3-dioxoisoindole-5-sulfonamide
SYSTEMATIC NAME: 4-chloranyl-2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-sulfonamide
MOLECULAR FORMULA: C14H15ClN2O4S
MOLECULAR WEIGHT: 342.7979
SMILES: C1CCC(CC1)N2C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)N)Cl
Structure:
CAS RN: 40738-12-3
CAS Name: 2-(1-oxododecylamino)ethanesulfonic acid
OPENEYE Name: 2-(dodecanoylamino)ethanesulfonic acid
IUPAC Name: 2-(dodecanoylamino)ethanesulfonic acid
SYSTEMATIC NAME: 2-(dodecanoylamino)ethanesulfonic acid
MOLECULAR FORMULA: C14H29NO4S
MOLECULAR WEIGHT: 307.44936
SMILES: CCCCCCCCCCCC(=O)NCCS(=O)(=O)O
Structure:
CAS RN: 40737-70-0
CAS Name: 3-(2-methylphenyl)-1-[2-(2-pyridinyloxy)ethyl]piperazine hydrochloride
OPENEYE Name: 3-(o-tolyl)-1-[2-(2-pyridyloxy)ethyl]piperazine hydrochloride
IUPAC Name: 3-(2-methylphenyl)-1-(2-pyridin-2-yloxyethyl)piperazine hydrochloride
SYSTEMATIC NAME: 3-(2-methylphenyl)-1-(2-pyridin-2-yloxyethyl)piperazine hydrochloride
MOLECULAR FORMULA: C18H24ClN3O
MOLECULAR WEIGHT: 333.85566
SMILES: CC1=CC=CC=C1C2CN(CCN2)CCOC3=CC=CC=N3.Cl
Structure:
CAS RN: 40674-21-3
CAS Name: 2-[(1,3-dioxo-2-isoindolyl)oxy]-2-methylpropanoic acid ethyl ester
OPENEYE Name: ethyl 2-(1,3-dioxoisoindolin-2-yl)oxy-2-methyl-propanoate
IUPAC Name: ethyl 2-(1,3-dioxoisoindol-2-yl)oxy-2-methylpropanoate
SYSTEMATIC NAME: ethyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]oxy-2-methyl-propanoate
MOLECULAR FORMULA: C14H15NO5
MOLECULAR WEIGHT: 277.2726
SMILES: CCOC(=O)C(C)(C)ON1C(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 40649-56-7
CAS Name: 3-amino-2,6-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-amino-2,6-dimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-amino-2,6-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-azanyl-2,6-dimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C8H13NO
MOLECULAR WEIGHT: 139.19492
SMILES: CC1CCC(=C(C1=O)C)N
Structure:
CAS RN: 40630-61-3
CAS Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N,N-bis(2-hydroxyethyl)-1-octanesulfonamide
OPENEYE Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide
IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide
MOLECULAR FORMULA: C12H10F17NO4S
MOLECULAR WEIGHT: 587.249954
SMILES: C(CO)N(CCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 40626-94-6
CAS Name: N,N-dimethyl-2-phenylaniline
OPENEYE Name: N,N-dimethyl-2-phenyl-aniline
IUPAC Name: N,N-dimethyl-2-phenylaniline
SYSTEMATIC NAME: N,N-dimethyl-2-phenyl-aniline
MOLECULAR FORMULA: C14H15N
MOLECULAR WEIGHT: 197.2756
SMILES: CN(C)C1=CC=CC=C1C2=CC=CC=C2
Structure:
CAS RN: 40590-42-9
CAS Name: 2-methyl-4,6-bis(1-phenylethyl)phenol
OPENEYE Name: 2-methyl-4,6-bis(1-phenylethyl)phenol
IUPAC Name: 2-methyl-4,6-bis(1-phenylethyl)phenol
SYSTEMATIC NAME: 2-methyl-4,6-bis(1-phenylethyl)phenol
MOLECULAR FORMULA: C23H24O
MOLECULAR WEIGHT: 316.43606
SMILES: CC1=C(C(=CC(=C1)C(C)C2=CC=CC=C2)C(C)C3=CC=CC=C3)O
Structure:
CAS RN: 40589-14-8
CAS Name: 2-methyl-1-nonanol
OPENEYE Name: 2-methylnonan-1-ol
IUPAC Name: 2-methylnonan-1-ol
SYSTEMATIC NAME: 2-methylnonan-1-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCCCCCCC(C)CO
Structure:
CAS RN: 40582-24-9
CAS Name: 6-chloro-3-(1-methylethenyl)-1H-benzimidazol-2-one
OPENEYE Name: 6-chloro-3-isopropenyl-1H-benzimidazol-2-one
IUPAC Name: 6-chloro-3-prop-1-en-2-yl-1H-benzimidazol-2-one
SYSTEMATIC NAME: 6-chloranyl-3-prop-1-en-2-yl-1H-benzimidazol-2-one
MOLECULAR FORMULA: C10H9ClN2O
MOLECULAR WEIGHT: 208.64426
SMILES: CC(=C)N1C2=C(C=C(C=C2)Cl)NC1=O
Structure:
CAS RN: 80284-63-5
CAS Name: 2-chloro-5-formylbenzenesulfonic acid
OPENEYE Name: 2-chloro-5-formyl-benzenesulfonic acid
IUPAC Name: 2-chloro-5-formylbenzenesulfonic acid
SYSTEMATIC NAME: 2-chloranyl-5-methanoyl-benzenesulfonic acid
MOLECULAR FORMULA: C7H5ClO4S
MOLECULAR WEIGHT: 220.6302
SMILES: C1=CC(=C(C=C1C=O)S(=O)(=O)O)Cl
Structure:
CAS RN: 40550-12-7
CAS Name: 2-chloro-N,N,N',N'-tetramethylpropane-1,3-diamine
OPENEYE Name: 2-chloro-N,N,N',N'-tetramethyl-propane-1,3-diamine
IUPAC Name: 2-chloro-N,N,N',N'-tetramethylpropane-1,3-diamine
SYSTEMATIC NAME: 2-chloranyl-N,N,N',N'-tetramethyl-propane-1,3-diamine
MOLECULAR FORMULA: C7H17ClN2
MOLECULAR WEIGHT: 164.67628
SMILES: CN(C)CC(CN(C)C)Cl
Structure:
CAS RN: 40522-91-6
CAS Name: 1,2-dimethyl-9H-xanthene
OPENEYE Name: 1,2-dimethyl-9H-xanthene
IUPAC Name: 1,2-dimethyl-9H-xanthene
SYSTEMATIC NAME: 1,2-dimethyl-9H-xanthene
MOLECULAR FORMULA: C15H14O
MOLECULAR WEIGHT: 210.27106
SMILES: CC1=C(C2=C(C=C1)OC3=CC=CC=C3C2)C
Structure:
CAS RN: 40487-95-4
CAS Name: 3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one
OPENEYE Name: 3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one
IUPAC Name: 3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one
SYSTEMATIC NAME: 3-chloranyl-5-fluoranyl-2,6-dimethyl-1H-pyridin-4-one
MOLECULAR FORMULA: C7H7ClFNO
MOLECULAR WEIGHT: 175.587983
SMILES: CC1=C(C(=O)C(=C(N1)C)Cl)F
Structure:
CAS RN: 40452-70-8
CAS Name: 4-cyclopentylbenzaldehyde
OPENEYE Name: 4-cyclopentylbenzaldehyde
IUPAC Name: 4-cyclopentylbenzaldehyde
SYSTEMATIC NAME: 4-cyclopentylbenzaldehyde
MOLECULAR FORMULA: C12H14O
MOLECULAR WEIGHT: 174.23896
SMILES: C1CCC(C1)C2=CC=C(C=C2)C=O
Structure:
CAS RN: 40427-66-5
CAS Name: 4-chloro-2-(phenylthio)-1,3-benzothiazole
OPENEYE Name: 4-chloro-2-phenylsulfanyl-1,3-benzothiazole
IUPAC Name: 4-chloro-2-phenylsulfanyl-1,3-benzothiazole
SYSTEMATIC NAME: 4-chloranyl-2-phenylsulfanyl-1,3-benzothiazole
MOLECULAR FORMULA: C13H8ClNS2
MOLECULAR WEIGHT: 277.79232
SMILES: C1=CC=C(C=C1)SC2=NC3=C(S2)C=CC=C3Cl
Structure:
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